SCHEMBL9192799

SCHEMBL9192799

C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.75
MAPK14 Q16539 16/20 0.75
MAPK13 O15264 15/20 0.75
MAPK12 P53778 15/20 0.75
GCGR P47871 14/20 0.75
CSNK1A1 P48729 5/20 0.75
CSNK1D P48730 5/20 0.75
PRKD3 O94806 4/20 0.75
MAP4K4 O95819 4/20 0.75
FRK P42685 4/20 0.75
MAPK9 P45984 4/20 0.75
GSK3B P49841 4/20 0.75
CLK4 Q9HAZ1 3/20 0.75
PTK6 Q13882 3/20 0.75
PRKD2 Q9BZL6 3/20 0.75
ALOX5 P09917 13/20 0.68
ALDH1A1 P00352 4/20 0.67
CSNK1E P49674 3/20 0.67
CSNK1A1L Q8N752 3/20 0.67
PRKACA P17612 3/20 0.67

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
Sb-203580 SCHEMBL27075368 1.00 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL220990 1.00 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL95208 1.00 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL25800837 1.00 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL146399 1.00 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL4890447 0.99 MAPK11 (0.73) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL20335254 0.90 MAPK11 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6447875 0.89 MAPK13 (0.72) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL1389121 0.87 MAPK14 (0.67) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6606221 0.87 MAPK11 (0.70) MAPK11MAPK14MAPK13MAPK12GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624159-A4 PYRIDYL SUBSTITUTED IMIDAZOLES. SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP claimed
EP-0624159-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-17 EP claimed
WO-1993014082-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO claimed