SCHEMBL6175246

SCHEMBL6175246

COc1ccc(CNc2nccc(-c3[nH]c(C4CCN(C)CC4)nc3-c3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.84
MAPK11 Q15759 6/20 0.84
MAPK13 O15264 5/20 0.84
MAPK9 P45984 5/20 0.84
MAPK12 P53778 5/20 0.84
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
RPS6KA3 P51812 1/20 0.60
RAF1 P04049 9/20 0.54
BRAF P15056 8/20 0.45
RPS6KB1 P23443 3/20 0.43

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
SCHEMBL6171455 0.91 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6174095 0.88 MAPK14 (0.74) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6170268 0.87 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6171671 0.83 MAPK14 (0.85) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL10051462 0.81 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6173735 0.81 MAPK14 (0.81) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL8485629 0.80 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL4587118 0.77 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6172583 0.76 CSNK1A1 (0.79) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL13139725 0.75 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK9MAPK12

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
EP-0906307-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2005-04-27 EP disclosed