SCHEMBL9901426

SCHEMBL9901426

Cc1ccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3Cl)c(=O)c2Br)s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 7/20 0.56
MAPKAPK2 P49137 3/20 0.56
MAPK14 Q16539 17/20 0.38
MAPK1 P28482 6/20 0.35

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
SCHEMBL9111045 0.88 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110161 0.87 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110948 0.87 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110702 0.87 MAPKAPK2 (0.62) MAPKAPK5MAPKAPK2MAPK14
SCHEMBL9113270 0.86 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9112202 0.86 MAPKAPK2 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9109602 0.85 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9112201 0.85 MAPKAPK2 (0.77) MAPKAPK5MAPKAPK2MAPK14
SCHEMBL9110979 0.84 MAPKAPK5 (0.52) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111311 0.84 MAPKAPK2 (0.52) MAPKAPK5MAPKAPK2MAPK14MAPK1

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-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP disclosed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed