SCHEMBL3663942

SCHEMBL3663942

COc1ccc(Cl)cc1C(=O)NC1CNCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.44
GSK3B P49841 8/20 0.41
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3663404 0.94 GSK3B (0.41) KCNMA1GSK3BTP53
SCHEMBL3661663 0.91 GSK3B (0.42) GSK3B
SCHEMBL3666557 0.90 GSK3B (0.44) KCNMA1GSK3B
SCHEMBL3662618 0.89 ALDH1A1 (0.44) GSK3BMAPTPOLBALDH1A1
SCHEMBL2066338 0.88 KCNMA1 (0.46) KCNMA1MAPTPOLBDRD2ALDH1A1
SCHEMBL3401265 0.85 KCNMA1 (0.44) KCNMA1MAPTPOLBDRD2ALDH1A1
SCHEMBL3658243 0.83 GSK3B (0.40) GSK3B
SCHEMBL3661728 0.83 GSK3B (0.44) GSK3B
SCHEMBL2066032 0.83 F10 (0.45) KCNMA1GSK3BMAPTTP53
SCHEMBL3655065 0.83 GSK3B (0.42) GSK3BPOLBALDH1A1HPGD

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 2 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 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