SCHEMBL5322344

SCHEMBL5322344

Cc1ccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.55
AKT2 P31751 5/20 0.55
MAPK14 Q16539 3/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 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
SCHEMBL5263183 0.92 AKT1 (0.49) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263026 0.85 AKT1 (0.43) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265447 0.83 AKT1 (0.54) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263277 0.83 AKT1 (0.42) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263137 0.79 AKT1 (0.62) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265616 0.79 AKT1 (0.62) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262731 0.78 AKT1 (0.47) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5348895 0.78 MAPK13 (0.41) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5337696 0.78 MAPK13 (0.41) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5318363 0.78 AKT1 (0.62) AKT1AKT2MAPK14MAPK13MAPK12

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-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed