SCHEMBL9198096

SCHEMBL9198096

Cc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccc([S+](C)[O-])cc2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 16/20 0.65
▸ MAPK14 Q16539 16/20 0.65
▸ MAPK13 O15264 15/20 0.65
▸ MAPK12 P53778 15/20 0.65
▸ GCGR P47871 13/20 0.65
▸ CSNK1A1 P48729 4/20 0.53
▸ CSNK1D P48730 4/20 0.53
▸ PRKD3 O94806 3/20 0.53
▸ MAP4K4 O95819 3/20 0.53
▸ FRK P42685 3/20 0.53
▸ MAPK9 P45984 3/20 0.53
▸ GSK3B P49841 3/20 0.53
▸ CLK4 Q9HAZ1 3/20 0.53
▸ PRKD2 Q9BZL6 2/20 0.53
▸ PTK6 Q13882 2/20 0.53
▸ ALOX5 P09917 11/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CSNK1E P49674 2/20 0.49
▸ CSNK1A1L Q8N752 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6605606 1.00 MAPK11 (0.65) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL25800837 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL146399 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL27075368 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL95208 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL9192799 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL220990 0.85 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL4890447 0.84 MAPK11 (0.73) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6129050 0.82 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6129071 0.81 MAPK14 (0.49) 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
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