SCHEMBL1129988

SCHEMBL1129988

O=c1cc(-c2ccncn2)nc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GSK3B P49841 8/20 0.40
CDC7 O00311 1/20 0.39
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
IP6K1 Q92551 1/20 0.35

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
SCHEMBL4709224 0.78 GSK3B (0.50) CDK2CDK9CDK5GSK3BCDC7
SCHEMBL83683 0.76 KDM4E (0.52) KDM4AKDM5CKDM4CKDM5BKDM3A
SCHEMBL2814353 0.73 HSP90AA1 (0.52) GRM5CCNT1CCNA2CDK2CDK9
SCHEMBL30595872 0.73 HSP90AA1 (0.52) GRM5CCNT1CCNA2CDK2CDK9
SCHEMBL3825889 0.72 KDM4E (0.41) CDK2GSK3BPARP1ABL1RIN1
SCHEMBL3143657 0.71 GSK3B (0.64) GSK3BCDC7
SCHEMBL29465046 0.70 AURKA (0.40) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL29417027 0.70 PARP1 (0.44) GRM5GSK3BCDC7PARP1
SCHEMBL9888383 0.69 ABL1 (0.38) CDK9CDK5GSK3BCDC7IP6K1
SCHEMBL16397837 0.69 GRM5 (0.45) GRM5GSK3BCDC7CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP claimed
EP-2464639-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP claimed
JP-4778890-B2 2011-09-21 JP claimed
EP-2033963-B1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2011-02-16 EP claimed
EP-2097409-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-09 EP claimed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP claimed
WO-2008078837-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-07-03 WO claimed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO claimed
EP-1603910-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-14 EP claimed
WO-2004078759-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-16 WO claimed
WO-2024159094-A1 PYRIMIDINYL (HETERO)AROMATIC AMINOPYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-08-02 WO disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed
EP-2197877-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR Sanofi-Aventis (FR) 2010-06-23 EP disclosed
EP-2160387-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2008155668-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
EP-1603910-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-14 EP disclosed
WO-2004078759-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-16 WO disclosed