SCHEMBL9905057

SCHEMBL9905057

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.38
MAPKAPK5 Q8IW41 2/20 0.38
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
JMJD6 Q6NYC1 2/20 0.31
BRD4 O60885 1/20 0.31
MAPK1 P28482 1/20 0.30
MAPK14 Q16539 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
SCHEMBL9905079 0.94 MAPKAPK2 (0.34) MAPKAPK2MAPKAPK5JMJD6
SCHEMBL9901328 0.94 MAPKAPK2 (0.37) MAPKAPK2MAPKAPK5HDAC1HDAC6HDAC5
SCHEMBL9110839 0.88 MAPKAPK5 (0.49) MAPKAPK2MAPKAPK5MAPK1MAPK14
SCHEMBL9901068 0.87 MAPKAPK2 (0.32) MAPKAPK2JMJD6BRD4
SCHEMBL9905211 0.86 HDAC1 (0.32) HDAC1HDAC6HDAC5JMJD6BRD4
SCHEMBL9112448 0.85 MAPKAPK5 (0.42) MAPKAPK2MAPKAPK5JMJD6MAPK1MAPK14
SCHEMBL9901461 0.83 MAPKAPK2 (0.39) MAPKAPK2MAPKAPK5BRD4MAPK1MAPK14
SCHEMBL9109717 0.82 MAPKAPK2 (0.41) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9109995 0.82 MAPKAPK2 (0.48) MAPKAPK2MAPKAPK5HDAC1HDAC6HDAC5
SCHEMBL9905480 0.79 ALOX5AP (0.31) JMJD6BRD4

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