SCHEMBL5196775

SCHEMBL5196775

CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C(F)(F)F)cc1.Cc1cc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 4/20 0.50
RAF1 P04049 2/20 0.50
GCGR P47871 3/20 0.43
MAPK9 P45984 2/20 0.43
CSNK1D P48730 4/20 0.42
CSNK1E P49674 3/20 0.42
ALOX5 P09917 2/20 0.42
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FRK P42685 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3B P49841 1/20 0.40
PTK6 Q13882 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TEK Q02763 2/20 0.39
MGAM O43451 1/20 0.39

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
SCHEMBL5197308 0.89 TEK (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5184613 0.87 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5199088 0.82 TEK (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5185055 0.81 TEK (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5196919 0.80 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5199659 0.79 GCGR (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5197084 0.78 TEK (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5197958 0.77 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11TEK
SCHEMBL5197068 0.77 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5921871 0.76 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11RAF1

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
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed