SCHEMBL7609010

SCHEMBL7609010

CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1.Fc1ccc(-c2ncn(CC3CC3)c2-c2ccncc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.81
MAPK13 O15264 15/20 0.81
MAPK12 P53778 15/20 0.81
MAPK11 Q15759 15/20 0.81
KDM4C Q9H3R0 2/20 0.53
MAP4K4 O95819 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
CDC42BPA Q5VT25 1/20 0.52
AURKB Q96GD4 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52

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
SCHEMBL4915662 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL4587383 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL30023277 0.84 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11KDM4C
Bromide SCHEMBL30021492 0.83 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL4912059 0.80 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL13038792 0.78 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL4915990 0.75 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL1387655 0.72 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4906653 0.72 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11KDM4C
SCHEMBL6583564 0.71 MAPK14 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229035-A1 Imine intermediates for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-08-07 EP disclosed