SCHEMBL9901328

SCHEMBL9901328

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.37
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
BRD4 O60885 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
JMJD6 Q6NYC1 1/20 0.31

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) MAPKAPK2HDAC1HDAC6HDAC5BRD4
SCHEMBL9901068 0.93 MAPKAPK2 (0.32) MAPKAPK2BRD4JMJD6
SCHEMBL9905079 0.89 MAPKAPK2 (0.34) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9905211 0.89 HDAC1 (0.32) HDAC1HDAC6HDAC5BRD4JMJD6
SCHEMBL9109995 0.87 MAPKAPK2 (0.48) MAPKAPK2HDAC1HDAC6HDAC5MAPKAPK5
SCHEMBL9109001 0.84 MAPKAPK2 (0.40) MAPKAPK2BRD4MAPKAPK5JMJD6
SCHEMBL9901137 0.84 MAPKAPK2 (0.36) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9110839 0.82 MAPKAPK5 (0.49) MAPKAPK2MAPKAPK5
SCHEMBL9905480 0.81 ALOX5AP (0.31) BRD4JMJD6
SCHEMBL9112278 0.81 MAPK14 (0.41) 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