SCHEMBL14276166

SCHEMBL14276166

COc1c(CN2CCCC2)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Oc3ccnc(N4CCN(C)CC4)n3)c2n1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.42
GSK3A P49840 13/20 0.42
BRAF P15056 3/20 0.39
SRC P12931 3/20 0.36
SYK P43405 2/20 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
SCHEMBL14276165 0.91 MAPK14 (0.44) MAPK14GSK3ASRCSYK
SCHEMBL14276237 0.89 BRAF (0.46) MAPK14GSK3ABRAFSRCSYK
SCHEMBL5115049 0.88 GSK3A (0.45) MAPK14GSK3ASRCSYK
SCHEMBL14276192 0.87 MAPK14 (0.45) MAPK14GSK3ASRCSYK
SCHEMBL5682608 0.86 MAPK14 (0.57) MAPK14GSK3ABRAFSRCSYK
SCHEMBL13688789 0.86 GSK3A (0.43) MAPK14GSK3ABRAFSRCSYK
SCHEMBL5685202 0.85 BRAF (0.47) MAPK14GSK3ABRAF
SCHEMBL14276231 0.85 GSK3A (0.46) MAPK14GSK3ASRCSYK
SCHEMBL5681284 0.85 GSK3A (0.46) MAPK14GSK3ASRCSYK
SCHEMBL14276242 0.85 BRAF (0.43) MAPK14GSK3ABRAFSRC

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