SCHEMBL5962428

SCHEMBL5962428

C[S+]([O-])c1nccc(-c2[nH]c(C3(NC(=O)O)CCCCC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
CSNK1D P48730 2/20 0.36
JAK3 P52333 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
TGFBR1 P36897 1/20 0.35
CSNK1E P49674 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL5962342 0.84 MAPK14 (0.54) MAPK14CSNK1DJAK3CSNK1EGSK3B
SCHEMBL7677062 0.82 MAPK14 (0.36) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL5962380 0.79 MAPK14 (0.57) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL5962371 0.79 MAPK14 (0.51) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4602908 0.71 BRAF (0.56) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL18425609 0.68 MAPK14 (0.49) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL8554729 0.66 MAPK13 (0.43) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL18438906 0.64 SSTR3 (0.57)
SCHEMBL5818004 0.62 MEN1 (0.33) MAPK14CSNK1DJAK3TGFBR1
SCHEMBL5726693 0.62 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP claimed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO claimed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
EP-1232153-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-11-03 EP disclosed