TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 223.273 | Formula: C14H13N3
H donors: 2 H acceptors: 1 LogP: 2.66 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: CC1Cc2c(c3c1c[nH]n3)[nH]c1c2cccc1
InChi: 1S/C14H13N3/c1-8-6-10-9-4-2-3-5-12(9)16-13(10)14-11(8)7-15-17-14/h2-5,7-8,16H,6H2,1H3,(H,15,17)
InChiKey: OEEBTEWVXHYZRM-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

No curated genes were found associated with this compound

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
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1445	0.1445
Onchocerca volvulus	Tyrosine kinase homolog	0.0373	0.8327	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0047	0.0014	0.0014
Entamoeba histolytica	tyrosin kinase, putative	0.0067	0.0533	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0439	1	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Schistosoma mansoni	ephrin receptor	0.0093	0.1186	0.1297
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0064	0.0455	0.0489
Schistosoma mansoni	cell adhesion molecule	0.0099	0.1338	0.1465
Brugia malayi	hypothetical protein	0.0085	0.099	0.0978
Schistosoma mansoni	semaphorin 5-related	0.0096	0.1254	0.1371
Schistosoma mansoni	nephrin	0.0104	0.1466	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0133	0.221	0.221
Schistosoma mansoni	tyrosine kinase	0.023	0.4682	0.5164
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0064	0.0455	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0085	0.099	0.099
Loa Loa (eye worm)	TK/EPH protein kinase	0.0111	0.1658	0.1658
Schistosoma mansoni	plexin	0.0229	0.4642	0.5119
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0749	0.0749
Brugia malayi	Fibronectin type III domain containing protein	0.0085	0.099	0.0978
Loa Loa (eye worm)	SRC-1	0.0064	0.0455	0.0455
Echinococcus granulosus	tyrosine protein kinase HCK	0.0056	0.0255	0.0266
Brugia malayi	protein-tyrosine kinase	0.006	0.0356	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0622	0.0622
Echinococcus granulosus	epidermal growth factor receptor	0.0256	0.5329	0.5878
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Schistosoma mansoni	hypothetical protein	0.0096	0.1254	0.1371
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Echinococcus multilocularis	plexin a4	0.027	0.5708	0.6298
Brugia malayi	Protein kinase domain containing protein	0.0262	0.5502	0.5496
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0064	0.0455	0.0489
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0277	0.5871	0.6479
Schistosoma mansoni	tyrosine kinase	0.023	0.4682	0.5164
Brugia malayi	SRC-1	0.0064	0.0455	0.0442
Echinococcus multilocularis	roundabout 2	0.0118	0.1814	0.1991
Schistosoma mansoni	hypothetical protein	0.0133	0.221	0.2429
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.013	0.2129	0.234
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0084	0.097	0.1057
Echinococcus granulosus	plexin a4	0.027	0.5708	0.6298
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Onchocerca volvulus		0.0229	0.4642	0.5268
Loa Loa (eye worm)	hypothetical protein	0.0085	0.099	0.099
Schistosoma mansoni	tyrosine kinase	0.0256	0.5329	0.5878
Loa Loa (eye worm)	hypothetical protein	0.0229	0.4642	0.4642
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0402	0.9055	0.9055
Schistosoma mansoni	tyrosine kinase	0.0064	0.0455	0.0489
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0064	0.0455	0.0489
Echinococcus granulosus	defective proboscis extension response	0.0071	0.0622	0.0672
Echinococcus granulosus	Immunoglobulin	0.0071	0.0622	0.0672
Echinococcus granulosus	epidermal growth factor receptor	0.0402	0.9055	1
Echinococcus multilocularis	hypothetical protein	0.0096	0.1254	0.1371
Echinococcus multilocularis	neuroglian	0.0089	0.1097	0.1198
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0047	0.0014	0.0014
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.013	0.2129	0.234
Echinococcus granulosus	roundabout 2	0.0118	0.1814	0.1991
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0093	0.1186	0.1297
Echinococcus multilocularis	semaphorin 5B	0.0096	0.1254	0.1371
Schistosoma mansoni	tyrosine kinase	0.0402	0.9055	1
Onchocerca volvulus		0.0329	0.7205	0.8559
Loa Loa (eye worm)	sema domain-containing protein	0.0096	0.1254	0.1254
Schistosoma mansoni	tyrosine kinase	0.0064	0.0455	0.0489
Brugia malayi	Furin-like cysteine rich region family protein	0.0402	0.9055	0.9054
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0064	0.0455	0.0489
Brugia malayi	plexin A	0.027	0.5708	0.5702
Echinococcus multilocularis	tyrosine protein kinase Blk	0.006	0.0356	0.0379
Echinococcus granulosus	semaphorin 5B	0.0096	0.1254	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0622	0.0622
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0064	0.0455	0.0489
Echinococcus granulosus	twitchin	0.0089	0.1097	0.1198
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.013	0.2129	0.234
Brugia malayi	hypothetical protein	0.0096	0.1254	0.1241
Loa Loa (eye worm)	TK/INSR protein kinase	0.0262	0.5502	0.5502
Loa Loa (eye worm)	TK protein kinase	0.0149	0.2605	0.2605
Schistosoma mansoni	tyrosine kinase	0.0058	0.0291	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0056	0.0255	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1445	0.1445
Echinococcus multilocularis	insulin receptor	0.0262	0.5502	0.6071
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0071	0.0622	0.0672
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.006	0.0356	0.0379
Entamoeba histolytica	protein kinase domain containing protein	0.0067	0.0533	1
Brugia malayi	Plexin repeat family protein	0.0229	0.4642	0.4635
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0071	0.0622	0.0672
Echinococcus multilocularis	Immunoglobulin	0.0071	0.0622	0.0672
Brugia malayi	Sema domain containing protein	0.0096	0.1254	0.1241
Schistosoma mansoni	tyrosine kinase	0.0256	0.5329	0.5878
Loa Loa (eye worm)	hypothetical protein	0.0085	0.099	0.099
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Schistosoma mansoni	tyrosine kinase	0.0262	0.5502	0.6071
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0064	0.0455	0.0489
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Schistosoma mansoni	vesicular amine transporter	0.0071	0.0622	0.0672
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0064	0.0455	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0622	0.0622
Loa Loa (eye worm)	plexin A	0.027	0.5708	0.5708
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0084	0.097	0.097
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0149	0.2605	0.2595
Echinococcus multilocularis	Immunoglobulin	0.0071	0.0622	0.0672
Loa Loa (eye worm)	sema domain-containing protein	0.0096	0.1254	0.1254
Brugia malayi	Protein kinase domain containing protein	0.0101	0.1395	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0067	0.054	0.054
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0064	0.0455	0.0489
Loa Loa (eye worm)	TK protein kinase	0.006	0.0356	0.0356
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.006	0.0356	0.0379
Echinococcus multilocularis	epidermal growth factor receptor	0.0256	0.5329	0.5878
Echinococcus granulosus	tyrosine protein kinase Blk	0.006	0.0356	0.0379
Echinococcus granulosus	fibroblast growth factor receptor 4	0.013	0.2129	0.234
Echinococcus granulosus	neuroglian	0.0089	0.1097	0.1198
Schistosoma mansoni	tyrosine kinase	0.013	0.2129	0.234
Brugia malayi	hypothetical protein	0.0096	0.1254	0.1241
Echinococcus granulosus	ephrin type A receptor 4 A	0.0093	0.1186	0.1297
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0071	0.0622	0.0672
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0277	0.5871	0.6479
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0064	0.0455	0.0489
Loa Loa (eye worm)	TK protein kinase	0.0056	0.0255	0.0255
Echinococcus multilocularis	epidermal growth factor receptor	0.0402	0.9055	1
Schistosoma mansoni	tyrosine kinase	0.0262	0.5502	0.6071
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Onchocerca volvulus		0.0096	0.1254	0.0916
Schistosoma mansoni	tyrosine kinase	0.023	0.4682	0.5164
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0064	0.0455	0.0489
Echinococcus granulosus	insulin receptor	0.0262	0.5502	0.6071
Echinococcus granulosus	semaphorin 1A	0.0096	0.1254	0.1371
Echinococcus granulosus	tyrosine kinase	0.006	0.0356	0.0379
Schistosoma mansoni	plexin	0.0133	0.221	0.2429
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0064	0.0455	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1254	0.1254
Schistosoma mansoni	hypothetical protein	0.0096	0.1254	0.1371
Brugia malayi	Sema domain containing protein	0.0096	0.1254	0.1241
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0256	0.5329	0.5878
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0085	0.099	0.0978
Echinococcus multilocularis	tyrosine protein kinase Srms	0.006	0.0356	0.0379
Echinococcus multilocularis		0.0116	0.1776	0.1949
Brugia malayi	ephrin receptor 1 precursor	0.0057	0.0278	0.0264

Activities

No activities found for this compound.

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: CHEMBL2414981

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1775369