SCHEMBL5340780

SCHEMBL5340780

CCOC(=O)c1cc(Br)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)n2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.59
AKT2 P31751 4/20 0.59
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE2A O00408 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GABRA2 P47869 4/20 0.42
GABRB2 P47870 4/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
CHRNA7 P36544 1/20 0.41
CYP19A1 P11511 2/20 0.41
SLC2A1 P11166 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5342475 0.93 AKT1 (0.59) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5343352 0.92 AKT1 (0.49) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5344445 0.89 AKT1 (0.66) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5317129 0.85 AKT1 (0.48) AKT1AKT2KDM4EKMT2A
SCHEMBL5458454 0.85 TP53 (0.44) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5336859 0.81 CNR1 (0.46) AKT1AKT2ALDH1A1HPGD
SCHEMBL5341752 0.81 AKT1 (0.53) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5338301 0.77 AKT1 (0.48) AKT1AKT2KDM4E
SCHEMBL5334428 0.76 TSPO (0.48) AKT1AKT2CYP1A2CYP2C9CYP2C19
SCHEMBL5343483 0.75 CYP1A2 (0.59) AKT1AKT2CYP1A2CYP2C9CYP2C19

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