SCHEMBL5381095

SCHEMBL5381095

Nc1nc(=O)cc(-c2ccncc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.47
PKN1 Q16512 2/20 0.46
PKN2 Q16513 2/20 0.46
CDK9 P50750 2/20 0.43
CDK2 P24941 2/20 0.43
GSK3B P49841 2/20 0.43
PLK4 O00444 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
PRKD3 O94806 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10843644 0.84 XDH (0.54) CDC7KDM4EALDH1A1LMNAHPGD
SCHEMBL5377577 0.80 CDC7 (0.49) CDC7PKN1PKN2CDK9CDK2
SCHEMBL7395689 0.79 MAPK14 (0.48) CDC7GSK3BMAPK13MAPK1MAPK12
SCHEMBL5377972 0.79 GSK3B (0.56) CDC7PKN1PKN2CDK9CDK2
SCHEMBL10840691 0.78 CDC7 (0.44) CDC7PKN1PKN2CDK9CDK2
SCHEMBL5377688 0.75 GSK3B (0.59) CDC7PKN1PKN2CDK9CDK2
SCHEMBL5381545 0.75 CDC7 (0.59) CDC7PKN1PKN2CDK2GSK3B
SCHEMBL5038081 0.75 MAPK14 (0.44) CDC7PKN1PKN2CDK9CDK2
SCHEMBL5399975 0.75 CDC7 (0.48) CDC7PKN1PKN2CDK9CDK2
SCHEMBL5384156 0.75 CDC7 (0.44) CDC7PKN1PKN2CDK9CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321295-B1 4-(PYRIDIN-4-YL)-1H-[1,3,5]TRIAZIN-2-ONE DERIVATIVES AS GSK3-BETA INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES MITSUBISHI TANABE PHARMA CORP (JP) 2011-12-21 EP disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed