SCHEMBL4462472

SCHEMBL4462472

Cc1c(-c2ccc(F)cc2)nc(Cl)nc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.48
TXN P10599 1/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL2347107 0.85 GCGR (0.42) GCGRTXNMAPK14MAPK13MAPK12
SCHEMBL13118742 0.83 GCGR (0.50) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2344461 0.83 GCGR (0.40) GCGRTXNMAPK14MAPK13MAPK12
SCHEMBL2342322 0.83 GCGR (0.40) GCGRTXNMAPK14MAPK13MAPK12
SCHEMBL4453078 0.83 GCGR (0.40) GCGRTXNMAPK14MAPK13MAPK12
SCHEMBL27885298 0.81 GCGR (0.49) GCGR
SCHEMBL4449474 0.81 GCGR (0.63) GCGR
SCHEMBL13118740 0.81 GCGR (0.51) GCGR
SCHEMBL27885299 0.80 GCGR (0.39) GCGRTXNMAPK14MAPK13MAPK12
SCHEMBL4455298 0.80 GCGR (0.48) GCGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO claimed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed