SCHEMBL370132

SCHEMBL370132

COCCOc1cnc2ccc(CCO)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.46
MET P08581 9/20 0.45
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
MIF P14174 1/20 0.38
CYP3A4 P08684 1/20 0.37
PDE10A Q9Y233 1/20 0.36
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL187290 0.89 CBFB (0.57) CBFBMETALDH1A1F2GLA
SCHEMBL3839961 0.86 ALDH1A1 (0.51) CBFBMETALDH1A1F2GLA
SCHEMBL359222 0.81 MET (0.47) CBFBMETALDH1A1F2GLA
SCHEMBL358693 0.77 CNR1 (0.47) CBFBMETALDH1A1F2GLA
SCHEMBL187431 0.77 FBP1 (0.44) CBFBMETALDH1A1F2GLA
SCHEMBL358992 0.77 EGFR (0.42) CBFBMETALDH1A1F2GLA
SCHEMBL359885 0.77 MET (0.42) CBFBMETALDH1A1F2GLA
SCHEMBL13619702 0.77 MET (0.42) CBFBMETALDH1A1F2GLA
SCHEMBL2698219 0.77 ALDH1A1 (0.43) CBFBMETALDH1A1F2GLA
SCHEMBL28065817 0.76 MET (0.45) CBFBMETALDH1A1F2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
EP-2310389-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2011-04-20 EP disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed