SCHEMBL5340645

SCHEMBL5340645

O=C(Cl)c1cccn2c(-c3ccccc3)c(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.54
AKT2 P31751 13/20 0.54
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIA1 P42261 2/20 0.42
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CACNG2 Q9Y698 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
SCHEMBL5478849 0.91 AKT1 (0.55) AKT1AKT2KDM4ELMNAGAA
SCHEMBL5337928 0.88 AKT1 (0.52) AKT1AKT2KDM4EGRIA1CASP1
SCHEMBL5341869 0.83 AKT2 (0.47) AKT1AKT2KDM4EGRIA1CASP1
SCHEMBL5337716 0.80 CNR1 (0.55) AKT1AKT2KDM4ELMNAGAA
SCHEMBL5318511 0.79 AURKA (0.55) AKT1AKT2LMNA
SCHEMBL5348576 0.79 AKT1 (0.65) AKT1AKT2LMNA
SCHEMBL5440820 0.76 CNR1 (0.43) AKT1AKT2KDM4ECASP1CASP7
SCHEMBL5340752 0.74 CNR1 (0.53) AKT1AKT2GRIA1
SCHEMBL5340730 0.74 ALDH1A1 (0.56) KDM4ELMNAGAAL3MBTL1GRIA1
SCHEMBL5340360 0.73 AKT1 (0.46) AKT1AKT2LMNA

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