SCHEMBL4754922

SCHEMBL4754922

CC(CNC=O)C(OC(C)(C)C)C(=O)OCn1nc(-c2cc(F)ccc2F)c2c(NCCS(C)(=O)=O)nc(Oc3ccc(F)cc3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
MAPK11 Q15759 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CREBBP Q92793 4/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL13672549 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4475285 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL13672578 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4482831 0.83 MAPK14 (0.39) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL13672575 0.83 MAPK14 (0.39) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL13672546 0.81 MAPK14 (0.43) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4754927 0.80 MAPK14 (0.39) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4485865 0.80 MAPK14 (0.49) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4478276 0.79 MAPK14 (0.43) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL4484185 0.79 MAPK14 (0.45) MAPK14MAPK11MAPK8MAPK9MAPK10

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-1919914-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
WO-2007023115-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed