SCHEMBL4948573

SCHEMBL4948573

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(NC3CC3)c2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.52
GSK3A P49840 9/20 0.42
SRC P12931 5/20 0.42
SYK P43405 5/20 0.42
LCK P06239 1/20 0.41
SCARB1 Q8WTV0 1/20 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
SCHEMBL4949036 0.87 MAPK14 (0.60) MAPK14GSK3ASCARB1
SCHEMBL4949065 0.86 MAPK14 (0.57) MAPK14GSK3ASCARB1
SCHEMBL4949801 0.85 MAPK14 (0.53) MAPK14GSK3ASRCSYKLCK
SCHEMBL4955593 0.85 MAPK14 (0.51) MAPK14GSK3ASRCSYKLCK
SCHEMBL4410951 0.85 MAPK14 (0.55) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4949392 0.84 MAPK14 (0.52) MAPK14GSK3ASRCSYKLCK
SCHEMBL4948452 0.84 MAPK14 (0.50) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL1599878 0.81 MAPK14 (0.63) MAPK14SCARB1
SCHEMBL4949388 0.80 MAPK14 (0.51) MAPK14GSK3ASRCSYKLCK
SCHEMBL1600554 0.79 MAPK14 (0.57) MAPK14GSK3ASRCSYKSCARB1

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