SCHEMBL5962371

SCHEMBL5962371

O=C(O)NC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.51
MAPK13 O15264 9/20 0.51
MAPK12 P53778 9/20 0.51
MAPK11 Q15759 9/20 0.51
ALOX5 P09917 7/20 0.51
TGFBR1 P36897 1/20 0.51
MAPK9 P45984 3/20 0.49
RAF1 P04049 2/20 0.49
GCGR P47871 6/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
FRK P42685 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
GSK3B P49841 2/20 0.48
PTK6 Q13882 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PRKD2 Q9BZL6 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CIT O14578 1/20 0.46

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
SCHEMBL6600561 0.81 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5962342 0.80 MAPK14 (0.54) MAPK14CSNK1DGSK3BCSNK1E
SCHEMBL5962428 0.79 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5962480 0.78 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7677062 0.78 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5962380 0.75 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL27450957 0.74 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5772445 0.71 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8446904 0.71 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6600321 0.70 MAPK11 (0.60) MAPK14MAPK13MAPK12MAPK11ALOX5

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
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
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP disclosed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO disclosed