SCHEMBL4028673

SCHEMBL4028673

CC(C)(C)OC(=O)ON1CCCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
MAPK11 Q15759 10/20 0.56
MAPK13 O15264 9/20 0.56
MAPK12 P53778 9/20 0.56
RAF1 P04049 3/20 0.56
MAPK9 P45984 3/20 0.56
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
RPS6KA3 P51812 1/20 0.52
BRAF P15056 1/20 0.43
ALOX5 P09917 4/20 0.42
GCGR P47871 1/20 0.42
TGFBR1 P36897 1/20 0.40

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
SCHEMBL4033802 0.90 CSNK1A1 (0.58) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4028406 0.87 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4032460 0.81 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4024247 0.81 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4025352 0.81 CSNK1A1 (0.60) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4584849 0.81 CSNK1A1 (0.60) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4030967 0.80 MAPK11 (0.67) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4028779 0.79 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4025777 0.78 BRAF (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL8601591 0.77 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12RAF1

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-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed