SCHEMBL4711022

SCHEMBL4711022

Cn1cnc(-c2ccncc2)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.46
GSK3B P49841 13/20 0.44
NSD3 Q9BZ95 2/20 0.44
AURKA O14965 1/20 0.44
TTK P33981 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
CDC7 O00311 2/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPK14 Q16539 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL10842926 0.83 ALDH1A1 (0.46) KDM5BGSK3BCDC7ROCK2MAP4K4
SCHEMBL4759558 0.79 GSK3B (0.55) GSK3B
SCHEMBL31070715 0.76 EP300 (0.48)
SCHEMBL20415037 0.76 LMNA (0.38)
SCHEMBL18471238 0.74 FFAR1 (0.37)
SCHEMBL83040 0.74 GSK3B (0.43) GSK3BCDC7ROCK2MAP4K4PRKACA
SCHEMBL32667263 0.74 MAP4K1 (0.39) AURKATTKAURKBINCENP
SCHEMBL15261616 0.73 FFAR1 (0.35)
SCHEMBL15262765 0.71 ALDH1A1 (0.43) NSD3
SCHEMBL22341550 0.71 CHEK1 (0.41) KDM5BPIM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP claimed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO claimed
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
CN-1764650-B 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2010-06-16 CN disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
CN-100376576-C Substituted 2- (diaza-bicyclo-alkyl) -pyrimidone derivatives SANOFI SYNTHELABO (FR) 2008-03-26 CN disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
CN-1777603-A Substituted 2- (diaza-bicyclo-alkyl) -pyrimidone derivatives SANOFI SYNTHELABO (FR) 2006-05-24 CN disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 CN disclosed