SCHEMBL4067180

SCHEMBL4067180

CC(C)(C)CNc1nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.49
PTGES O14684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK13 O15264 2/20 0.35
RAF1 P04049 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL3989359 0.94 MAPK14 (0.57) MAPK14PTGESCYP2C9
SCHEMBL4061072 0.92 MAPK14 (0.55) MAPK14PTGESCYP2C9MAPTMEN1
SCHEMBL3997933 0.89 MAPK14 (0.51) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL4061387 0.85 MAPK14 (0.46) MAPK14
SCHEMBL4067941 0.85 PRKCQ (0.44) MAPK14PTGESCYP2C9CYP2D6
SCHEMBL4063899 0.83 MAPK14 (0.54) MAPK14MAPTMEN1KMT2AMAPK13
SCHEMBL3992567 0.83 MAPK14 (0.45) MAPK14MAPTMEN1KMT2A
SCHEMBL4122831 0.82 MAPT (0.43) MAPK14MAPTKMT2A
SCHEMBL3989284 0.80 MAPK14 (0.43) MAPK14PTGESCYP2C9MAPTMAPK13
SCHEMBL4067901 0.80 BRAF (0.38) MAPK14MEN1KMT2AMAPK13RAF1

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