SCHEMBL9901655

SCHEMBL9901655

COc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)(C)O)n4)c3)c(=O)c2Br)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.37
MAPKAPK5 Q8IW41 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
SCHEMBL9901030 0.91 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5
SCHEMBL9112136 0.87 MAPKAPK2 (0.43) MAPKAPK2MAPKAPK5
SCHEMBL9905107 0.84 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5
SCHEMBL9111137 0.83 MAPKAPK2 (0.44) MAPKAPK2MAPKAPK5
SCHEMBL9905675 0.82 MAPK14 (0.44) MAPKAPK2MAPKAPK5
SCHEMBL9905046 0.82 MAPKAPK2 (0.36) MAPKAPK2MAPKAPK5
SCHEMBL9111121 0.81 MAPKAPK5 (0.52) MAPKAPK2MAPKAPK5
SCHEMBL9109919 0.80 MAPK14 (0.42) MAPKAPK2MAPKAPK5
SCHEMBL9112127 0.79 MAPKAPK2 (0.40) MAPKAPK2MAPKAPK5
SCHEMBL9109194 0.79 MAPKAPK5 (0.57) MAPKAPK2MAPKAPK5

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