SCHEMBL14276231

SCHEMBL14276231

COc1c(CN2CCCC2)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Oc3ccnc(NCCN(C)C)n3)c2n1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.46
MAPK14 Q16539 8/20 0.41
SRC P12931 6/20 0.41
SYK P43405 6/20 0.41

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
SCHEMBL14276232 0.95 GSK3A (0.47) GSK3AMAPK14SRCSYK
SCHEMBL14276230 0.91 GSK3A (0.45) GSK3AMAPK14SRCSYK
SCHEMBL5681489 0.87 GSK3A (0.52) GSK3AMAPK14SRCSYK
SCHEMBL14276228 0.87 GSK3A (0.48) GSK3AMAPK14SRCSYK
SCHEMBL5115049 0.86 GSK3A (0.45) GSK3AMAPK14SRCSYK
SCHEMBL14276164 0.85 GSK3A (0.42) GSK3AMAPK14SRCSYK
SCHEMBL14276138 0.85 GSK3A (0.44) GSK3AMAPK14SRCSYK
SCHEMBL14276166 0.85 MAPK14 (0.42) GSK3AMAPK14SRCSYK
SCHEMBL14276158 0.85 GSK3A (0.49) GSK3AMAPK14SRCSYK
SCHEMBL14276142 0.84 GSK3A (0.53) GSK3AMAPK14SRCSYK

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
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed