SCHEMBL8602979

SCHEMBL8602979

CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2C)ccn1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.71
MAPK13 O15264 13/20 0.71
MAPK12 P53778 13/20 0.71
MAPK11 Q15759 13/20 0.71
MAPK9 P45984 4/20 0.71
RAF1 P04049 1/20 0.71

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
SCHEMBL7750462 1.00 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7750467 1.00 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8002384 0.92 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL15946565 0.88 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8484311 0.87 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7979995 0.86 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7748842 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7748844 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7991937 0.84 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4025113 0.83 MAPK14 (1.00) 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-5717100-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO., INC. (US) 1998-02-10 US disclosed