SCHEMBL5685377

SCHEMBL5685377

CNc1nc(C)cc(Oc2cccc3cc(C(=O)O)n(C)c23)n1.COc1c(N)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
GSK3A P49840 14/20 0.37
SRC P12931 8/20 0.37
SYK P43405 8/20 0.37
CXCL8 P10145 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5685369 0.92 MAPK14 (0.40) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5682451 0.91 GSK3A (0.45) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5685373 0.88 MAPK14 (0.48) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL5685361 0.85 MAPK14 (0.41) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5681353 0.85 MAPK14 (0.43) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5682690 0.84 GSK3A (0.47) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5681107 0.84 GSK3A (0.49) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5681495 0.83 GSK3A (0.48) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5682438 0.83 MAPK14 (0.44) MAPK14GSK3ASRCSYKCXCL8
SCHEMBL5685109 0.82 SRC (0.46) MAPK14GSK3ASRCSYKCXCL8

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
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