SCHEMBL4762995

SCHEMBL4762995

Cc1ccc(C(N)=O)c(-c2ccc(F)cc2F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.58
MAPK9 P45984 2/20 0.58
PRKD2 Q9BZL6 2/20 0.58
PRKD3 O94806 1/20 0.58
MAPKAPK2 P49137 1/20 0.58
MAPK10 P53779 1/20 0.58
ROCK1 Q13464 1/20 0.58
ACVR2B Q13705 1/20 0.58
MYLK Q15746 1/20 0.58
MAPK11 Q15759 1/20 0.58
NLK Q9UBE8 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
ALK Q9UM73 1/20 0.58
JAK2 O60674 1/20 0.51
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GRM5 P41594 2/20 0.41
GRM2 Q14416 7/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10026437 0.81 TSHR (0.51) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL28777603 0.78 PARP1 (0.43) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL20883148 0.76 MAPK14 (0.54) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL12678038 0.76 MAPK14 (0.59) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL15324278 0.75 MAPK11 (0.53) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL30658173 0.75 MAPK11 (0.53) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL22764068 0.75 MAPK14 (0.86) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
Vx-702 SCHEMBL185712 0.74 MAPK14 (1.00) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
Vx-702 SCHEMBL29367579 0.74 MAPK14 (1.00) MAPK14MAPK9PRKD2PRKD3MAPKAPK2
SCHEMBL25308353 0.73 PARP1 (0.43) MAPK14MAPK9PRKD2PRKD3MAPKAPK2

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-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed