SCHEMBL3425658

SCHEMBL3425658

COc1ccc(Cl)cc1C(=O)NC1COCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.40
GSK3B P49841 10/20 0.39
CYP2D6 P10635 6/20 0.39
CYP1A2 P05177 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GPR55 Q9Y2T6 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL927355 0.94 GSK3B (0.39) GSK3BCYP2D6CYP1A2MTOR
SCHEMBL3400870 0.92 GSK3B (0.42) GSK3BCYP2D6CYP1A2MTOR
SCHEMBL3402010 0.91 GSK3B (0.39) GSK3BCYP2D6CYP1A2MEN1KMT2A
SCHEMBL2065341 0.90 KCNMA1 (0.44) KCNMA1GSK3BCYP2D6CYP1A2MAPT
SCHEMBL3401265 0.90 KCNMA1 (0.44) KCNMA1MEN1KMT2AMAPTKDM4E
SCHEMBL3402173 0.90 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL2065310 0.89 DRD2 (0.43) KCNMA1GSK3BCYP2D6CYP1A2MAPT
SCHEMBL3400823 0.89 HTR4 (0.42) CYP2D6CYP1A2MEN1KMT2A
SCHEMBL2065813 0.88 KCNMA1 (0.42) KCNMA1GSK3BCYP2D6CYP1A2MEN1
SCHEMBL3402360 0.88 POLB (0.42) GSK3BCYP2D6CYP1A2MEN1KMT2A

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-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed