SCHEMBL3665624

SCHEMBL3665624

CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(NC(=O)c2ccc(-c3cnn(C)c3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.44
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
WNT1 P04628 2/20 0.36
DYRK1A Q13627 2/20 0.36
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
CHEK1 O14757 1/20 0.35
MET P08581 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL1168937 0.88 GSK3B (0.46) GSK3BALDH1A1GAAP2RY12
SCHEMBL3654635 0.82 GSK3B (0.46) GSK3BALDH1A1P2RY12
SCHEMBL3664584 0.80 GSK3B (0.46) GSK3B
SCHEMBL3664250 0.79 GSK3B (0.43) GSK3BALDH1A1P2RY12
SCHEMBL3662679 0.78 GSK3B (0.44) GSK3BALDH1A1
SCHEMBL3659037 0.78 GSK3B (0.43) GSK3B
SCHEMBL3662447 0.78 GSK3B (0.45) GSK3B
SCHEMBL3665691 0.78 GSK3B (0.45) GSK3B
SCHEMBL3662330 0.77 GSK3B (0.47) GSK3BP2RY12
SCHEMBL1832106 0.77 GSK3B (0.49) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO claimed
EP-2238141-B1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI SA (FR) 2015-01-14 EP disclosed
US-8507476-B2 Substituted arylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2090578-A1 Substituted arylamide diazepinopyrimidone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK3-beta Sanofi-Aventis (FR) 2009-08-19 EP disclosed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed