SCHEMBL6172583

SCHEMBL6172583

FC(F)(F)CNc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.79
CSNK1D P48730 1/20 0.79
RPS6KA3 P51812 1/20 0.79
MAPK13 O15264 9/20 0.75
MAPK12 P53778 9/20 0.75
MAPK11 Q15759 9/20 0.75
MAPK14 Q16539 9/20 0.75
MAPK9 P45984 6/20 0.75
RAF1 P04049 7/20 0.70
BRAF P15056 8/20 0.47
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL6173735 0.91 MAPK14 (0.81) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6171671 0.90 MAPK14 (0.85) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL4936886 0.89 CSNK1A1 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6174484 0.88 CSNK1A1 (0.82) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6171459 0.88 CSNK1A1 (0.73) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6171455 0.86 MAPK14 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6173136 0.84 MAPK13 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6172311 0.83 MAPK14 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6172619 0.83 MAPK14 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12
SCHEMBL6172305 0.83 MAPK14 (1.00) CSNK1A1CSNK1DRPS6KA3MAPK13MAPK12

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