SCHEMBL14155409

SCHEMBL14155409

COc1c(N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(NCCC(C)(C)C)c2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.59
SRC P12931 7/20 0.46
GSK3A P49840 6/20 0.46
SCARB1 Q8WTV0 3/20 0.45
SYK P43405 6/20 0.44
LCK P06239 1/20 0.43

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
SCHEMBL4948532 0.89 MAPK14 (0.73) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4949801 0.87 MAPK14 (0.53) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4948872 0.81 MAPK14 (0.71) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL1600569 0.80 MAPK14 (0.64) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL1599748 0.79 MAPK14 (0.79) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4947294 0.79 MAPK14 (0.73) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL5314960 0.79 MAPK14 (0.65) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4949392 0.79 MAPK14 (0.52) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4413523 0.77 MAPK14 (0.58) MAPK14SRCGSK3ASCARB1SYK
SCHEMBL4943717 0.77 MAPK14 (0.65) MAPK14SRCGSK3ASCARB1

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-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed