SCHEMBL4067941

SCHEMBL4067941

O=[N+]([O-])c1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)nc1NCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
DCLK1 O15075 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
MATK P42679 1/20 0.44
FRK P42685 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCD Q05655 1/20 0.44

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
SCHEMBL3992192 0.92 MAPK14 (0.45) PRKCQCYP2C9CYP3A4CYP2D6DCLK1
SCHEMBL4063490 0.90 PRKCQ (0.44) PRKCQMAPK14
SCHEMBL4067180 0.85 MAPK14 (0.49) CYP2C9CYP2D6MAPK14PTGES
SCHEMBL4067857 0.83 MAPK14 (0.45) PRKCQCYP3A4CSNK1DMAPK14
SCHEMBL4064671 0.81 PRKCQ (0.45) PRKCQCYP2C9CYP3A4CYP2D6DCLK1
SCHEMBL3989359 0.80 MAPK14 (0.57) CYP2C9MAPK14PTGES
SCHEMBL3993152 0.79 MAPK14 (0.45) CYP2C9CYP2D6PRKACAMAPK14PTGES
SCHEMBL3989284 0.78 MAPK14 (0.43) CYP2C9MAPK14PTGES
SCHEMBL4061072 0.78 MAPK14 (0.55) CYP2C9CYP3A4CSNK1DMAPK14PTGES
SCHEMBL3997933 0.74 MAPK14 (0.51) CSNK1DMAPK14

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