SCHEMBL5962380

SCHEMBL5962380

C[C@@H](Nc1nccc(-c2[nH]c(C3(NC(=O)O)CCCCC3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
MAPK13 O15264 6/20 0.48
MAPK12 P53778 5/20 0.48
MAPK11 Q15759 5/20 0.48
MAPK9 P45984 3/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT2 P31751 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK1G2 P78368 1/20 0.47

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 0.81 MAPK14 (0.54) MAPK14CSNK1DGSK3AGSK3B
SCHEMBL5962308 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5962311 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5962428 0.79 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7677062 0.79 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6808788 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5962371 0.75 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769478 0.75 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770650 0.75 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5772359 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9

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 2 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