SCHEMBL4069095

SCHEMBL4069095

CC(C)(C)CNc1nc(-c2[nH]c(-c3c(F)cccc3C(F)(F)F)nc2-c2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.49
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
MEN1 O00255 1/20 0.36
MAPK13 O15264 1/20 0.36
RIPK2 O43353 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4061387 0.94 MAPK14 (0.46) MAPK14
SCHEMBL4063899 0.94 MAPK14 (0.54) MAPK14CSNK1DCSNK1EMEN1MAPK13
SCHEMBL3997933 0.88 MAPK14 (0.51) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL4061072 0.88 MAPK14 (0.55) MAPK14CSNK1DCSNK1EMEN1MAPK13
SCHEMBL3989359 0.85 MAPK14 (0.57) MAPK14
SCHEMBL4068114 0.84 MAPK14 (0.43) MAPK14CSNK1DCSNK1EMEN1KMT2A
SCHEMBL3992075 0.81 MAPK14 (0.51) MAPK14MEN1MAPK13RIPK2GMNN
SCHEMBL4067857 0.80 MAPK14 (0.45) MAPK14CSNK1DCSNK1EMEN1MAPK13
SCHEMBL3990938 0.80 MAPK14 (0.47) MAPK14CSNK1DCSNK1EMEN1MAPK13
SCHEMBL4067180 0.80 MAPK14 (0.49) MAPK14MEN1MAPK13MAPTMAPK12

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-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed