SCHEMBL8601591

SCHEMBL8601591

CC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
MAPK13 O15264 9/20 0.55
MAPK12 P53778 9/20 0.55
MAPK11 Q15759 9/20 0.55
RAF1 P04049 3/20 0.55
MAPK9 P45984 3/20 0.55
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
RPS6KA3 P51812 1/20 0.51
BRAF P15056 1/20 0.46
ALOX5 P09917 3/20 0.44
GCGR P47871 1/20 0.44
TGFBR1 P36897 1/20 0.42

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
SCHEMBL8603194 0.89 MAPK11 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8604215 0.89 CSNK1A1 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL28152166 0.86 OPRD1 (0.48)
SCHEMBL8602866 0.84 USP30 (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4025352 0.83 CSNK1A1 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4584849 0.83 CSNK1A1 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4029509 0.83 CSNK1A1 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4028406 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7815274 0.83 CYP3A4 (0.39) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7818989 0.81 CYP3A4 (0.38) MAPK14MAPK13MAPK12MAPK11RAF1

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