SCHEMBL9901137

SCHEMBL9901137

Cc1c(OCc2ccn(C)n2)c(Br)c(=O)n(-c2ccnc(-c3ccnc(C(C)(C)C)n3)c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.36
JMJD6 Q6NYC1 2/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
ALOX5AP P20292 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
SCHEMBL9901068 0.92 MAPKAPK2 (0.32) MAPKAPK2JMJD6
SCHEMBL9109925 0.86 MAPK14 (0.43) MAPKAPK2MAPKAPK5
SCHEMBL9901328 0.84 MAPKAPK2 (0.37) MAPKAPK2JMJD6MAPKAPK5
SCHEMBL9108784 0.82 MAPKAPK2 (0.43) MAPKAPK2JMJD6MAPKAPK5
SCHEMBL9905480 0.82 ALOX5AP (0.31) JMJD6ALOX5AP
SCHEMBL9905079 0.80 MAPKAPK2 (0.34) MAPKAPK2JMJD6MAPKAPK5
SCHEMBL9110572 0.80 MAPKAPK2 (0.52) MAPKAPK2JMJD6MAPKAPK5
SCHEMBL9109614 0.79 MAPKAPK2 (0.44) MAPKAPK2MAPKAPK5
SCHEMBL9901030 0.79 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5ALOX5AP
SCHEMBL9905057 0.79 MAPKAPK2 (0.38) MAPKAPK2JMJD6MAPKAPK5

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