SCHEMBL8488146

SCHEMBL8488146

CC(Nc1nccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.59
MAPK13 O15264 14/20 0.59
MAPK12 P53778 14/20 0.59
MAPK11 Q15759 14/20 0.59
MAPK9 P45984 5/20 0.57
RAF1 P04049 2/20 0.55
CAMK2D Q13557 3/20 0.46
ATP1A1 P05023 1/20 0.46
ATP1B1 P05026 1/20 0.46
ATP1A3 P13637 1/20 0.46
ATP1B2 P14415 1/20 0.46
ATP1A2 P50993 1/20 0.46
ATP1B3 P54709 1/20 0.46
FXYD2 P54710 1/20 0.46
ATP1A4 Q13733 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
SCHEMBL7695632 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8488141 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215450 0.78 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215445 0.78 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14561106 0.78 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL8489047 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818671 0.77 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14561108 0.76 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221081 0.76 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217284 0.76 MAPK14 (0.78) 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