SCHEMBL5348158

SCHEMBL5348158

O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.60
AKT2 P31751 13/20 0.60
CDH1 P12830 1/20 0.49
APC P25054 1/20 0.49
CTNNB1 P35222 1/20 0.49
TCF7L2 Q9NQB0 1/20 0.49
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5320311 0.94 AKT1 (0.54) AKT1AKT2CDH1APCCTNNB1
SCHEMBL5347759 0.91 AKT1 (0.52) AKT1AKT2
SCHEMBL3498373 0.87 CDH1 (0.50) AKT1AKT2CDH1APCCTNNB1
SCHEMBL3498796 0.85 CYP1A2 (0.49) AKT1AKT2CDH1APCCTNNB1
SCHEMBL5341132 0.85 CDH1 (0.48) AKT1AKT2CDH1APCCTNNB1
SCHEMBL5489046 0.83 AKT1 (0.46) AKT1AKT2CDH1APCCTNNB1
SCHEMBL10175208 0.83 GABRA2 (0.53) GABRA2GABRB2
SCHEMBL5340340 0.81 SLC2A1 (0.64) AKT1AKT2GABRA2GABRB2CYP1A2
SCHEMBL5337926 0.81 CNR1 (0.58) AKT1AKT2GABRA2GABRB2
SCHEMBL5322233 0.81 CNR1 (0.58) AKT1AKT2GABRA2GABRB2

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 1 patent. 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 disclosed