SCHEMBL5337928

SCHEMBL5337928

O=C(O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.52
AKT2 P31751 6/20 0.52
KDM4E B2RXH2 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRIA1 P42261 4/20 0.44
DHODH Q02127 2/20 0.43
CACNG2 Q9Y698 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
TSPO P30536 1/20 0.41

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
SCHEMBL5478849 0.97 AKT1 (0.55) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5341869 0.94 AKT2 (0.47) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5340645 0.88 AKT1 (0.54) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5440820 0.87 CNR1 (0.43) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5337716 0.83 CNR1 (0.55) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5348576 0.82 AKT1 (0.65) AKT1AKT2TSPO
SCHEMBL5340360 0.81 AKT1 (0.46) AKT1AKT2TSPO
SCHEMBL5318511 0.80 AURKA (0.55) AKT1AKT2
SCHEMBL5340752 0.78 CNR1 (0.53) AKT1AKT2GRIA1TSPO
SCHEMBL17004138 0.77 AKT2 (0.86) AKT1AKT2

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
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed