SCHEMBL9901068

SCHEMBL9901068

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.32
JMJD6 Q6NYC1 1/20 0.30
BRD4 O60885 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
SCHEMBL9901328 0.93 MAPKAPK2 (0.37) MAPKAPK2JMJD6BRD4
SCHEMBL9901137 0.92 MAPKAPK2 (0.36) MAPKAPK2JMJD6
SCHEMBL9905480 0.89 ALOX5AP (0.31) JMJD6BRD4
SCHEMBL9905079 0.88 MAPKAPK2 (0.34) MAPKAPK2JMJD6
SCHEMBL9905057 0.87 MAPKAPK2 (0.38) MAPKAPK2JMJD6BRD4
SCHEMBL9112278 0.87 MAPK14 (0.41) MAPKAPK2
SCHEMBL9109001 0.84 MAPKAPK2 (0.40) MAPKAPK2JMJD6BRD4
SCHEMBL9109717 0.82 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL9905211 0.81 HDAC1 (0.32) JMJD6BRD4
SCHEMBL9109995 0.81 MAPKAPK2 (0.48) MAPKAPK2

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