SCHEMBL8488141

SCHEMBL8488141

CC(Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)n[c]n2C)n1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.64
MAPK13 O15264 18/20 0.64
MAPK12 P53778 17/20 0.64
MAPK11 Q15759 17/20 0.64
MAPK9 P45984 7/20 0.64
RAF1 P04049 3/20 0.57
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT2 P31751 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45
FRK P42685 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL7695632 0.83 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8484311 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215450 0.80 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215445 0.80 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14561106 0.79 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14561108 0.79 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8488146 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818671 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6215621 0.79 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6171137 0.79 MAPK14 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859041-A Substituted imidazoles having cytokine inhibitory activity MERCK & CO., INC. (US) 1999-01-12 US disclosed