Detailed information for compound 1788819

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.266 | Formula: C12H14N4O
  • H donors: 1 H acceptors: 3 LogP: 1.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]ccc2c1ncnc2N1CCCCC1
  • InChi: 1S/C12H14N4O/c17-12-10-9(4-5-13-12)11(15-8-14-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,13,17)
  • InChiKey: JKSNPHPFZXMPDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Homo sapiens Janus kinase 1 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi regulator of G-protein signaling rgs-7 0.0171 0.0944 0.0943
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0145 0.1016
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.011 0.0109
Echinococcus granulosus tyrosine protein kinase Lyn 0.0014 0.0025 0.0027
Schistosoma mansoni regulator of G protein signaling 0.0171 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.0864 0.096
Echinococcus multilocularis beta adrenergic receptor kinase 0.0175 0.0968 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Schistosoma mansoni regulator of G protein signaling 0.0171 0.0944 0.0943
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0145 0.0144
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0171 0.0944 0.0943
Onchocerca volvulus 0.0091 0.0475 0.3694
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0145 0.1016
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0171 0.0944 0.0943
Entamoeba histolytica hypothetical protein 0.0171 0.0944 1
Echinococcus multilocularis Regulator of G protein signaling 20 0.0171 0.0944 0.1048
Schistosoma mansoni regulator of G protein signaling 0.0171 0.0944 0.0943
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0171 0.0944 0.7319
Schistosoma mansoni alpha-glucosidase 0.0135 0.0735 0.0735
Brugia malayi A-kinase anchor protein 10, precursor 0.0171 0.0944 0.0943
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.011 0.0121
Echinococcus multilocularis regulator of G protein signaling 3 0.0171 0.0944 0.1048
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0145 0.1539
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Schistosoma mansoni hypothetical protein 0.0084 0.0435 0.0434
Echinococcus multilocularis regulator of G protein signaling 7 0.0171 0.0944 0.1048
Loa Loa (eye worm) hypothetical protein 0.0086 0.0446 0.0445
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0171 0.0944 0.0943
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0145 0.0161
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0162 0.0892 0.0991
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.011 0.0121
Plasmodium vivax SET domain protein, putative 0.0029 0.011 0.5
Entamoeba histolytica hypothetical protein 0.0171 0.0944 1
Schistosoma mansoni z-protein (S1r protein) 0.0171 0.0944 0.0943
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.011 0.0109
Echinococcus multilocularis regulator of G protein signaling 3 0.0171 0.0944 0.1048
Echinococcus granulosus regulator of G protein signaling 7 0.0171 0.0944 0.1048
Loa Loa (eye worm) PXA domain-containing protein 0.0171 0.0944 0.0943
Echinococcus multilocularis alkaline phosphatase 0.0162 0.0892 0.0991
Echinococcus multilocularis regulator of G protein signaling 7 0.0171 0.0944 0.1048
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0145 0.1016
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.0864 0.0863
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.0864 0.096
Onchocerca volvulus 0.0029 0.011 0.0848
Echinococcus granulosus regulator of G protein signaling 3 0.0171 0.0944 0.1048
Schistosoma mansoni alpha-glucosidase 0.0135 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943
Brugia malayi Regulator of G protein signaling domain containing protein 0.0171 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0029 0.011 0.0109
Schistosoma mansoni eyes absent homolog 0.0086 0.0446 0.0445
Echinococcus granulosus regulator of G protein signaling 3 0.0171 0.0944 0.1048
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Loa Loa (eye worm) RGS-3 protein 0.0171 0.0944 0.0943
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.011 0.0109
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0145 0.1016
Echinococcus granulosus axis inhibition protein axin 0.0171 0.0944 0.1048
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0145 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0017 0.0123
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1543 0.8996 0.8996
Entamoeba histolytica SH2-protein kinase domain containing protein 0.001 0.0001 0.0009
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1543 0.8996 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0162 0.0892 0.0991
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1714 1 1
Echinococcus granulosus alkaline phosphatase 0.0162 0.0892 0.0991
Echinococcus granulosus Regulator of G protein signaling 20 0.0171 0.0944 0.1048
Schistosoma mansoni serine/threonine protein kinase 0.1714 1 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0175 0.0968 0.1075
Brugia malayi Pre-SET motif family protein 0.0029 0.011 0.0109
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0162 0.0892 0.0991
Echinococcus granulosus intestinal type alkaline phosphatase 0.0162 0.0892 0.0991
Schistosoma mansoni regulator of G protein signaling 0.0171 0.0944 0.0943
Brugia malayi PXA domain containing protein 0.0171 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0086 0.0446 0.0445
Schistosoma mansoni regulator of G protein signaling 0.0171 0.0944 0.0943
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0145 0.1539
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943
Schistosoma mansoni tyrosine kinase 0.001 0.0001 0.0000000070905
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1283 1
Echinococcus granulosus expressed protein 0.0171 0.0944 0.1048
Schistosoma mansoni serine/threonine protein kinase 0.0175 0.0968 0.0967
Brugia malayi hypothetical protein 0.0171 0.0944 0.0943
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.011 0.0121
Brugia malayi Pre-SET motif family protein 0.0201 0.112 0.112
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.0864 0.096
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.011 0.0109
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0145 0.1016
Echinococcus granulosus regulator of G protein signaling 7 0.0171 0.0944 0.1048
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0145 0.1016
Echinococcus multilocularis expressed protein 0.0171 0.0944 0.1048
Echinococcus multilocularis tyrosine protein kinase shark 0.001 0.0001 0.0000000078815
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0145 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0175 0.0968 0.0967
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0017 0.0016
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0145 1
Schistosoma mansoni alkaline phosphatase 0.0162 0.0892 0.0892
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0103 0.0114
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0171 0.0944 0.1048
Brugia malayi hypothetical protein 0.0171 0.0944 0.0943
Schistosoma mansoni alpha glucosidase 0.0035 0.0145 0.0144
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.112 0.112
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.0864 0.0863
Schistosoma mansoni alkaline phosphatase 0.0162 0.0892 0.0892
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0171 0.0944 0.1048
Brugia malayi regulator of G-protein signaling egl-10 0.0171 0.0944 0.0943
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0145 0.1016
Echinococcus multilocularis regulator of G protein signaling 0.0171 0.0944 0.1048
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1543 0.8996 0.8996
Trypanosoma brucei glucosidase, putative 0.0035 0.0145 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0162 0.0892 0.0991
Entamoeba histolytica hypothetical protein 0.0171 0.0944 1
Brugia malayi hypothetical protein 0.0086 0.0446 0.0445
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0162 0.0892 0.0991
Schistosoma mansoni axis inhibition protein axin 0.0171 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943
Schistosoma mansoni axis inhibition protein axin 0.0171 0.0944 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0145 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0171 0.0944 0.0943
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0145 0.0161
Echinococcus multilocularis axis inhibition protein axin 0.0171 0.0944 0.1048
Schistosoma mansoni serine/threonine protein kinase 0.0175 0.0968 0.0967
Echinococcus multilocularis axis inhibition protein axin 0.0171 0.0944 0.1048
Echinococcus granulosus tyrosine protein kinase shark 0.001 0.0001 0.0000000078815
Brugia malayi Regulator of G protein signaling domain containing protein 0.0171 0.0944 0.0943
Onchocerca volvulus 0.0229 0.1283 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0145 0.1016
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1543 0.8996 0.8996
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0145 0.0144
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0792 0.4591 0.5102
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0017 0.0176
Loa Loa (eye worm) hypothetical protein 0.0013 0.0017 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0944 0.7319
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1543 0.8996 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0145 0.1016
Brugia malayi PXA domain containing protein 0.0171 0.0944 0.0943
Echinococcus granulosus axis inhibition protein axin 0.0171 0.0944 0.1048
Loa Loa (eye worm) hypothetical protein 0.0171 0.0944 0.0943

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3200 nM Inhibition of JAK2 (unknown origin) ChEMBL. 24042009
Ki (binding) > 5600 nM Inhibition of JAK1 (unknown origin) ChEMBL. 24042009

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

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.