SCHEMBL4061072

SCHEMBL4061072

CC(C)(C)CNc1nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.55
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK13 O15264 1/20 0.38
RIPK2 O43353 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK12 P53778 1/20 0.38

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
SCHEMBL4067180 0.92 MAPK14 (0.49) MAPK14MEN1MAPK13MAPTMAPK12
SCHEMBL4063899 0.91 MAPK14 (0.54) MAPK14ALOX5MEN1MAPK13RIPK2
SCHEMBL3989359 0.90 MAPK14 (0.57) MAPK14PTGESCYP2C9
SCHEMBL4069095 0.88 MAPK14 (0.49) MAPK14ALOX5MEN1MAPK13RIPK2
SCHEMBL3992192 0.86 MAPK14 (0.45) MAPK14ALOX5MEN1MAPK13RIPK2
SCHEMBL3997933 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3992075 0.83 MAPK14 (0.51) MAPK14ALOX5MEN1MAPK13RIPK2
SCHEMBL4061387 0.82 MAPK14 (0.46) MAPK14
SCHEMBL4067103 0.81 MAPK14 (0.40) MAPK14ALOX5MEN1MAPK13RIPK2
SCHEMBL4068114 0.81 MAPK14 (0.43) MAPK14MEN1KMT2ATDP1CSNK1D

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