SCHEMBL5962367

SCHEMBL5962367

C[C@H](Nc1nccc(-c2nc(C(C)(C)N)[nH]c2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT2 P31751 1/20 0.54
FLT4 P35916 1/20 0.54
FLT3 P36888 1/20 0.54
FRK P42685 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CSNK1G2 P78368 1/20 0.54
MAP4K2 Q12851 1/20 0.54
DYRK1A Q13627 1/20 0.54
ERBB4 Q15303 1/20 0.54

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
SCHEMBL5962454 1.00 MAPK13 (0.54) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL5962308 0.79 MAPK14 (0.51) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL5962311 0.79 MAPK14 (0.51) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL6983433 0.78 MAPK14 (0.59) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL27597808 0.78 MAPK13 (0.59) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL5818388 0.75 MAPK14 (0.60) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL5818390 0.75 MAPK14 (0.60) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL7188681 0.75 MAPK14 (0.53) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL5817992 0.75 MAPK13 (0.59) MAPK13PRKD3MAP4K4LCKLYN
SCHEMBL24171064 0.73 MAPK13 (0.61) MAPK13PRKD3MAP4K4LCKLYN

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-1232153-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-11-03 EP 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