SCHEMBL27353304

SCHEMBL27353304

CC(C(=O)O)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.72
MAPK13 O15264 14/20 0.72
MAPK12 P53778 14/20 0.72
MAPK11 Q15759 14/20 0.72
MAP4K4 O95819 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CDC42BPA Q5VT25 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
MAPK10 P53779 1/20 0.47
TGFBR1 P36897 1/20 0.47
TGFBR2 P37173 1/20 0.47

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
SCHEMBL1387655 0.85 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4587383 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL25043423 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL29975008 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23410689 0.78 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4915403 0.77 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6583564 0.75 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6585407 0.75 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23411353 0.74 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860326 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1050126-C Tri-substituted imidazoles, their preparation and use and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORP (US) 2000-03-08 CN claimed
CN-1129447-A Trisubstituted imidazoles having multiple therapeutic effects SMITHKLINE BEECHAM CORP (US) 1996-08-21 CN claimed
CN-1050126-C Tri-substituted imidazoles, their preparation and use and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORP (US) 2000-03-08 CN disclosed
CN-1218801-A Tri-substituted imidazoles, and process of their preparation and using the same and having their pharmic composition SMITHKLINE BEECHAM CORP (US) 1999-06-09 CN disclosed
CN-1129447-A Trisubstituted imidazoles having multiple therapeutic effects SMITHKLINE BEECHAM CORP (US) 1996-08-21 CN disclosed