SCHEMBL9901030

SCHEMBL9901030

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)(C)O)n4)c3)c(=O)c2Br)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
ALOX5AP P20292 1/20 0.32

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
SCHEMBL9905107 0.93 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5
SCHEMBL9901655 0.91 MAPKAPK2 (0.37) MAPKAPK2MAPKAPK5
SCHEMBL9111805 0.86 MAPKAPK2 (0.45) MAPKAPK2MAPKAPK5
SCHEMBL9905046 0.86 MAPKAPK2 (0.36) MAPKAPK2MAPKAPK5
SCHEMBL9901203 0.85 GABRG2 (0.30)
SCHEMBL9905675 0.84 MAPK14 (0.44) MAPKAPK2MAPKAPK5
SCHEMBL9109954 0.82 MAPKAPK2 (0.46) MAPKAPK2MAPKAPK5
SCHEMBL9905063 0.80 GRM5 (0.31)
SCHEMBL9110095 0.80 MAPKAPK5 (0.54) MAPKAPK2MAPKAPK5
SCHEMBL9901137 0.79 MAPKAPK2 (0.36) MAPKAPK2MAPKAPK5ALOX5AP

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