SCHEMBL9905480

SCHEMBL9905480

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PFKFB3 Q16875 2/20 0.31
JMJD6 Q6NYC1 3/20 0.31
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
SCHEMBL9905211 0.93 HDAC1 (0.32) ALOX5APFEN1PFKFB3JMJD6BRD4
SCHEMBL9901068 0.89 MAPKAPK2 (0.32) JMJD6BRD4
SCHEMBL9112762 0.87 MAPK14 (0.41)
SCHEMBL9905063 0.86 GRM5 (0.31)
SCHEMBL9905014 0.85
SCHEMBL9905341 0.85 NMT1 (0.36) FEN1
SCHEMBL9905454 0.84 JMJD6 (0.33) ALOX5APFEN1PFKFB3JMJD6BRD4
SCHEMBL9111940 0.84 JMJD6 (0.33) PFKFB3JMJD6BRD4
SCHEMBL9901007 0.83 MAOB (0.34)
SCHEMBL9905458 0.82 MAPK14 (0.31)

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