SCHEMBL8099788

SCHEMBL8099788

COc1nccc(-c2[nH]c([C@H]3CC[C@@](C)(O)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
MAPK13 O15264 9/20 0.47
MAPK12 P53778 9/20 0.47
MAPK11 Q15759 9/20 0.47
RAF1 P04049 4/20 0.47
MAPK9 P45984 4/20 0.47
CSNK1A1 P48729 3/20 0.47
CSNK1D P48730 3/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
PRKCA P17252 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8099707 1.00 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7138508 1.00 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8113515 0.90 CSNK1D (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8108392 0.88 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8108276 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4587201 0.87 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4586046 0.87 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583748 0.87 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8108398 0.87 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8099919 0.87 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1

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-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed