TDR Targets

Basic information

Technical information

TDR Targets ID: 764895
Name: 1-(3-methylsulfanyl-6-pyridin-3-yl-6H-[1,2,4] triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1 -one
MW: 393.462 | Formula: C20H19N5O2S
H donors: 0 H acceptors: 5 LogP: 2.52 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccnc1
InChi: 1S/C20H19N5O2S/c1-3-7-16(26)25-15-10-5-4-9-14(15)17-18(22-20(28-2)24-23-17)27-19(25)13-8-6-11-21-12-13/h4-6,8-12,19H,3,7H2,1-2H3
InChiKey: JNJMEAPDQDNTJH-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

1-[3-methylsulfanyl-6-(3-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
1-[3-(methylthio)-6-(3-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
EU-0048173
BAS 05618723

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
Echinococcus granulosus	neurogenic locus notch protein 4	0.006	0.0541	0.2065
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0157	0.262	0.3013
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Brugia malayi	Muscle positioning protein 4	0.006	0.0541	0.0622
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Echinococcus granulosus	notch	0.006	0.0541	0.2065
Loa Loa (eye worm)	Notch2	0.006	0.0541	0.0278
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0061	0.0563	0.2147
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0612	0.0363
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.186	0.7099
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.044	0.8696	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0157	0.262	0.3013
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Echinococcus multilocularis	neurogenic locus protein delta	0.006	0.0541	0.2065
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.0138	0.0526
Trichomonas vaginalis	set domain proteins, putative	0.0501	1	0.5
Echinococcus granulosus	fibropellin Ia	0.006	0.0541	0.2065
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0157	0.262	1
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0157	0.262	0.2756
Brugia malayi	Delta serrate ligand family protein	0.006	0.0541	0.0622
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0612	0.2337
Entamoeba histolytica	hypothetical protein	0.0035	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.186	0.5
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Brugia malayi	Pre-SET motif family protein	0.0063	0.0612	0.0704
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0157	0.262	0.2756
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0308	0.0354
Echinococcus granulosus	slit 2 protein	0.006	0.0541	0.2065
Brugia malayi	Pre-SET motif family protein	0.044	0.8696	1
Schistosoma mansoni	septate junction protein	0.006	0.0541	0.2065
Onchocerca volvulus	Neurogenic locus notch homolog	0.006	0.0541	0.000000059943
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0157	0.262	0.2756
Echinococcus granulosus	neurogenic locus protein delta	0.006	0.0541	0.2065
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Giardia lamblia	High cysteine protein	0.006	0.0541	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0551	0.0289
Onchocerca volvulus		0.0063	0.0612	0.0075
Brugia malayi	Cadherin domain containing protein	0.006	0.0541	0.0622
Echinococcus multilocularis	neural cadherin	0.006	0.0541	0.2065
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0121	0.186	0.5
Echinococcus multilocularis	slit 2 protein	0.006	0.0541	0.2065
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0113	0.1685	0.1641
Echinococcus multilocularis	laminin	0.0157	0.262	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.006	0.0541	0.0622
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Echinococcus granulosus	protein jagged 1	0.006	0.0541	0.2065
Echinococcus granulosus	protein jagged 2	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0121	0.186	0.2139
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Echinococcus granulosus	neural cadherin	0.006	0.0541	0.2065
Echinococcus multilocularis	protein jagged 1	0.006	0.0541	0.2065
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.186	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0121	0.186	0.5
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0612	0.2337
Echinococcus granulosus	histone lysine methyltransferase setb	0.0063	0.0612	0.2337
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0063	0.0612	0.2337
Echinococcus multilocularis	neurogenic locus protein delta	0.006	0.0541	0.2065
Schistosoma mansoni	cell polarity protein	0.006	0.0541	0.2065
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Echinococcus multilocularis	neurogenic locus notch protein	0.006	0.0541	0.2065
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Echinococcus multilocularis	fat cadherin tumor suppressor	0.006	0.0541	0.2065
Echinococcus multilocularis	neurogenic locus notch protein 4	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0063	0.0612	0.2337
Echinococcus granulosus	protein jagged 1	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.0157	0.262	0.2756
Brugia malayi	Cadherin domain containing protein	0.006	0.0541	0.0622
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.0551	0.2101
Echinococcus multilocularis	protein jagged 1	0.006	0.0541	0.2065
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.0138	0.0526
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Brugia malayi	Calcium binding EGF domain containing protein	0.006	0.0541	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0157	0.262	0.2756
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.186	0.7099
Loa Loa (eye worm)	hypothetical protein	0.0157	0.262	0.2756
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0157	0.262	0.2756
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0063	0.0612	0.0342
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.0138	0.0526
Echinococcus granulosus	neurogenic locus notch protein	0.006	0.0541	0.2065
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Echinococcus multilocularis	fibrillin 1	0.0157	0.262	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	laminin gamma-3 chain	0.006	0.0541	0.2065
Echinococcus multilocularis	Tolloid protein 1	0.0157	0.262	1
Echinococcus granulosus	neurogenic locus notch protein	0.006	0.0541	0.2065
Brugia malayi	Fibulin-1 precursor	0.0157	0.262	0.3013
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.0551	0.2101
Echinococcus granulosus	laminin	0.0157	0.262	1
Onchocerca volvulus	Arrow homolog	0.0157	0.262	0.2198
Brugia malayi	notch-like transmembrane receptor	0.006	0.0541	0.0622
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.006	0.0541	0.000000059943
Plasmodium vivax	SET domain protein, putative	0.0063	0.0612	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	notch	0.006	0.0541	0.2065
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0121	0.186	0.7099
Brugia malayi	Calcium binding EGF domain containing protein	0.006	0.0541	0.0622
Schistosoma mansoni	egf-like domain protein	0.0157	0.262	1
Echinococcus multilocularis	fibropellin Ia	0.006	0.0541	0.2065
Brugia malayi	GCC2 and GCC3 family protein	0.006	0.0541	0.0622
Echinococcus multilocularis	neurogenic locus notch protein	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.006	0.0541	0.2065
Echinococcus multilocularis	notch	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.0209	0.0241
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0157	0.262	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0612	0.2337
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0063	0.0612	0.2337
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0157	0.262	0.2756
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0157	0.262	1
Echinococcus granulosus	delta-like protein 1	0.006	0.0541	0.2065
Loa Loa (eye worm)	notch protein	0.006	0.0541	0.0278
Schistosoma mansoni	hypothetical protein	0.006	0.0541	0.2065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Loa Loa (eye worm)	hypothetical protein	0.006	0.0541	0.0278
Schistosoma mansoni	slit	0.006	0.0541	0.2065
Echinococcus granulosus	protein jagged 2	0.006	0.0541	0.2065
Echinococcus granulosus	Tolloid protein 1	0.0157	0.262	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.0452	0.1725
Brugia malayi	EGF-like domain containing protein	0.006	0.0541	0.0622
Brugia malayi	Calcium binding EGF domain containing protein	0.006	0.0541	0.0622
Echinococcus multilocularis	protein jagged 2	0.006	0.0541	0.2065

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 764895