SCHEMBL6472335

SCHEMBL6472335

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1cccc(C(=O)NCCN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.44
PARP1 P09874 2/20 0.41
MAPK11 Q15759 4/20 0.40
PKM P14618 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
RAD52 P43351 2/20 0.39
ABL1 P00519 1/20 0.38
BRD4 O60885 1/20 0.38
ROCK2 O75116 1/20 0.38
MAPK12 P53778 1/20 0.38
STRADA Q7RTN6 1/20 0.38

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
SCHEMBL6474950 0.91 MAPK14 (0.53) MAPK14MAPK11BRD4ROCK2MAPK12
SCHEMBL6471668 0.91 MAPK14 (0.45) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471320 0.88 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6474165 0.86 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6473360 0.86 MAPK14 (0.55) MAPK14
SCHEMBL6471515 0.85 MAPK14 (0.47) MAPK14
SCHEMBL6471547 0.85 PTGER1 (0.49) MAPK14
SCHEMBL6470992 0.84 MAPK14 (0.54) MAPK14
SCHEMBL6471257 0.83 MAPK14 (0.43) MAPK14
SCHEMBL6472561 0.82 MAPK14 (0.53) MAPK14MAPK11BRD4ROCK2MAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed