SCHEMBL5685177

SCHEMBL5685177

CNC(=O)c1cc(Oc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
GSK3A P49840 15/20 0.45
SRC P12931 11/20 0.45
SYK P43405 11/20 0.45
LCK P06239 2/20 0.45
CYP3A4 P08684 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
SCHEMBL14276149 0.90 SRC (0.53) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276205 0.89 GSK3A (0.48) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL5685182 0.89 GSK3A (0.44) MAPK14GSK3ASRCSYKLCK
SCHEMBL5681346 0.89 MAPK14 (0.51) MAPK14GSK3ASRCSYKLCK
SCHEMBL5125167 0.89 GSK3A (0.49) MAPK14GSK3ASRCSYKLCK
SCHEMBL14276285 0.89 MAPK14 (0.47) MAPK14GSK3ASRCSYKLCK
SCHEMBL14276186 0.89 MAPK14 (0.47) MAPK14GSK3ASRCSYKLCK
SCHEMBL14276206 0.88 GSK3A (0.49) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276281 0.88 MAPK14 (0.46) MAPK14GSK3ASRCSYKLCK
SCHEMBL5685172 0.88 GSK3A (0.41) MAPK14GSK3ASRCSYKLCK

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-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
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