TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.503 | Formula: C24H26N6O
H donors: 1 H acceptors: 2 LogP: 4.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1cccc2n1nc(n2)Nc1ccc(cc1)N1CCN(CC1)C
InChi: 1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27)
InChiKey: DPVQBIWIVWTDRV-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Janus kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0106	0.004
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0089	0.5087	0.5054
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0168	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0168	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0168	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0168	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0168	1	1
Brugia malayi	nuclear receptor NHR-67	0.0079	0.4498	0.4461
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0348	0.0284
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.5087	0.5054
Brugia malayi	hypothetical protein	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Schistosoma mansoni	zinc finger protein	0.0079	0.4498	0.4498
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0168	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0348	0.0348
Onchocerca volvulus		0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0168	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0106	0.004
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0089	0.5087	0.5087
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0168	1	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0106	0.004
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0106	0.0106
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0079	0.4498	0.4461
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0168	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0079	0.4498	0.4461
Brugia malayi	nuclear receptor NHR-88	0.0168	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0042	0.2217	0.2166
Brugia malayi	Nuclear hormone receptor-like 1	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0106	0.004
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.2459	0.2459
Echinococcus multilocularis	FTZ F1 alpha	0.0168	1	1
Onchocerca volvulus		0.0079	0.4498	0.4461
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.2044	1
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.0106	0.004
Schistosoma mansoni	thyroid hormone receptor	0.0168	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0168	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0168	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0168	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0168	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0168	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0168	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0106	0.0106
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0348	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0089	0.5087	0.5054
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0079	0.4498	0.4461
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0168	1	1
Brugia malayi	conserved hypotetical protein	0.0079	0.4498	0.4461
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0168	1	1
Schistosoma mansoni	nuclear receptor	0.0079	0.4498	0.4498
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0089	0.5087	0.5087
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0168	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0079	0.4498	0.4461
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0106	0.004
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0079	0.4498	0.4461
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0106	0.004
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.2217	0.2166
Echinococcus granulosus	nuclear receptor nhr 48	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0089	0.5087	0.5054
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0079	0.4498	0.4498
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Loa Loa (eye worm)	DR-78	0.0079	0.4498	0.4461
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.2459	0.2459
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Schistosoma mansoni	retinoic acid receptor RXR	0.0168	1	1
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0348	0.0284
Schistosoma mansoni	nuclear hormone receptor	0.0079	0.4498	0.4498
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0348	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0168	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0079	0.4498	0.4461
Brugia malayi	photoreceptor-specific nuclear receptor	0.0168	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Brugia malayi	hypothetical protein	0.0089	0.5087	0.5054
Brugia malayi	Nuclear hormone receptor-like 1	0.0089	0.5087	0.5054
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0168	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0168	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0348	0.0284
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0168	1	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0106	0.0106
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0106	0.004
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0168	1	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0079	0.4498	0.4461
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Brugia malayi	nuclear hormone receptor	0.0168	1	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0008	0.0066	0.0066
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0106	0.004
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0168	1	1
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0106	0.004
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0008	0.0106	0.004
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0168	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0168	1	1
Brugia malayi	nuclear receptor RXR	0.0079	0.4498	0.4461
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.2217	0.2166
Brugia malayi	nuclear hormone receptor	0.0079	0.4498	0.4461
Brugia malayi	tailless protein	0.0079	0.4498	0.4461
Schistosoma mansoni	nuclear receptor	0.0079	0.4498	0.4498
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0168	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0168	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0089	0.5087	0.5054
Loa Loa (eye worm)	hypothetical protein	0.0089	0.5087	0.5054
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0089	0.5087	0.5054
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0168	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0168	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0168	1	1
Brugia malayi	steroid hormone receptor	0.0168	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0079	0.4498	0.4498
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0168	1	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0008	0.0106	0.004
Schistosoma mansoni	coup transcription factor	0.0168	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0079	0.4498	0.4461
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0168	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.2044	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0008	0.0066	0.5
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0106	0.004
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Onchocerca volvulus		0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Brugia malayi	hypothetical protein	0.0089	0.5087	0.5054
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0079	0.4498	0.4461
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0168	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0168	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.187	0.1816
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0079	0.4498	0.4461
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0106	0.0106
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0089	0.5087	0.5054
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0168	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0168	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0168	1	1
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0348	0.0284
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0168	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0079	0.4498	0.4461
Brugia malayi	hypothetical protein	0.0079	0.4498	0.4461
Brugia malayi	Steroid receptor seven-up type 2	0.0168	1	1
Brugia malayi	ecdysone receptor	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0079	0.4498	0.4461
Onchocerca volvulus	Protein ultraspiracle homolog	0.0168	1	1
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Brugia malayi	nuclear hormone receptor family member odr-7	0.0079	0.4498	0.4461
Brugia malayi	orphan nuclear receptor NR2E1	0.0079	0.4498	0.4461
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0079	0.4498	0.4498
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Brugia malayi	Nuclear hormone receptor E75	0.0079	0.4498	0.4461
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0348	0.0284
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0168	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0168	1	1
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0168	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0168	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.5087	0.5054
Echinococcus granulosus	thyroid hormone receptor alpha	0.0079	0.4498	0.4461
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0079	0.4498	0.4461
Brugia malayi	nuclear receptor NHR-88	0.0079	0.4498	0.4461
Brugia malayi	Nuclear hormone receptor E75	0.0079	0.4498	0.4461
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0106	0.004
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.2217	0.2166
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0079	0.4498	0.4461
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0168	1	1
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Schistosoma mansoni	nuclear hormone receptor	0.0079	0.4498	0.4498
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4498	0.4461
Schistosoma mansoni	tyrosine kinase	0.0008	0.0066	0.0066
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0008	0.0106	0.004
Loa Loa (eye worm)	hypothetical protein	0.0168	1	1
Brugia malayi	nuclear receptor RXR	0.0089	0.5087	0.5054
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0079	0.4498	0.4461

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0219 uM	Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level	ChEMBL.	23870430
Inhibition (functional)	= 52 %	Inhibition of JAK2 in mouse xenografted with human SET2 cells assessed as reduction of phosphorylated STAT5 level at 100 mg/kg, po after 4 hrs by MSD electrochemiluminescence assay relative to total STAT5 level	ChEMBL.	23870430
Ki (binding)	= 0.0006 uM	Inhibition of JAK2 (unknown origin)	ChEMBL.	23870430

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2414544

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1773301