SCHEMBL9905079

SCHEMBL9905079

Cc1cnc(C(C)(C)O)nc1-c1cc(-n2c(C)c(C)c(OCc3ccn(C)n3)c(C)c2=O)ccn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34
JMJD6 Q6NYC1 3/20 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
SCHEMBL9905057 0.94 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9901328 0.89 MAPKAPK2 (0.37) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9901068 0.88 MAPKAPK2 (0.32) MAPKAPK2JMJD6
SCHEMBL9112448 0.87 MAPKAPK5 (0.42) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9110839 0.83 MAPKAPK5 (0.49) MAPKAPK2MAPKAPK5
SCHEMBL9109717 0.83 MAPKAPK2 (0.41) MAPKAPK2MAPKAPK5
SCHEMBL9109001 0.81 MAPKAPK2 (0.40) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9905211 0.81 HDAC1 (0.32) JMJD6
SCHEMBL9905480 0.80 ALOX5AP (0.31) JMJD6
SCHEMBL9901137 0.80 MAPKAPK2 (0.36) MAPKAPK2MAPKAPK5JMJD6

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 claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO claimed