SCHEMBL4033802

SCHEMBL4033802

CC(C)(C)OC(=O)ON1CCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
RPS6KA3 P51812 1/20 0.58
MAPK14 Q16539 12/20 0.58
MAPK11 Q15759 10/20 0.58
MAPK13 O15264 9/20 0.58
MAPK12 P53778 9/20 0.58
RAF1 P04049 3/20 0.58
MAPK9 P45984 3/20 0.58
BRAF P15056 1/20 0.46
ALOX5 P09917 4/20 0.44
GCGR P47871 1/20 0.44
KCNH2 Q12809 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
SCHEMBL4028673 0.90 MAPK14 (0.56) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025352 0.87 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4584849 0.87 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4028810 0.84 MAPK13 (0.43) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025777 0.83 BRAF (0.47) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4028406 0.81 MAPK14 (0.59) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025331 0.81 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4025214 0.81 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4026671 0.80 MAPK11 (0.68) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11
SCHEMBL4024836 0.79 CSNK1A1 (0.74) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK11

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