SCHEMBL9201148

SCHEMBL9201148

CS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 1.00
MAPK11 Q15759 11/20 1.00
ALOX5 P09917 10/20 1.00
CSNK1A1 P48729 3/20 1.00
CSNK1D P48730 3/20 1.00
ALDH1A1 P00352 3/20 1.00
CSNK1E P49674 2/20 1.00
CSNK1A1L Q8N752 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
MAPK13 O15264 10/20 0.75
MAPK12 P53778 10/20 0.75
GCGR P47871 9/20 0.75
PRKD3 O94806 2/20 0.75
MAP4K4 O95819 2/20 0.75
FRK P42685 2/20 0.75
MAPK9 P45984 2/20 0.75
GSK3B P49841 2/20 0.75
PTK6 Q13882 2/20 0.75
PRKD2 Q9BZL6 2/20 0.75
CLK4 Q9HAZ1 1/20 0.75

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
SCHEMBL4336547 1.00 MAPK14 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL458366 1.00 MAPK14 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL16566835 0.99 MAPK14 (0.98) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL4552997 0.88 ALOX5 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL5698563 0.88 ALOX5 (0.78) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL6930802 0.87 ALOX5 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL178158 0.87 MAPK11 (0.77) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL19868925 0.87 MAPK11 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL15075603 0.87 MAPK11 (1.00) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL7484511 0.86 ALOX5 (0.76) MAPK14MAPK11ALOX5CSNK1A1CSNK1D

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 disclosed
EP-0624159-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-17 EP disclosed
WO-1993014082-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed