SCHEMBL4453078

SCHEMBL4453078

[CH2]c1c(-c2ccc(F)cc2)nc(Cl)nc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.40
MAPK14 Q16539 7/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
TXN P10599 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK10 P53779 3/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1D P48730 1/20 0.35

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 0.84 GCGR (0.42) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL4462472 0.83 GCGR (0.48) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2344461 0.81 GCGR (0.40) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL2342322 0.81 GCGR (0.40) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL4449474 0.80 GCGR (0.63) GCGR
SCHEMBL27885298 0.80 GCGR (0.49) GCGR
SCHEMBL4455298 0.79 GCGR (0.48) GCGR
SCHEMBL27885299 0.79 GCGR (0.39) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL14315854 0.78 KDM1A (0.47) GCGRKDM4EALDH1A1
SCHEMBL27850982 0.78 GCGR (0.43) GCGRMAPK14MAPK13MAPK12MAPK11

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