SCHEMBL4064671

SCHEMBL4064671

CC(C)(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])c(NCC3CC3)n2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.45
MAPK14 Q16539 1/20 0.41
MAP4K4 O95819 2/20 0.40
CDK1 P06493 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
PIM1 P11309 2/20 0.40
CYP2C9 P11712 2/20 0.40
CDK2 P24941 2/20 0.40
CSNK1D P48730 2/20 0.40
CLK2 P49760 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
IRAK1 P51617 2/20 0.40
RPS6KA3 P51812 2/20 0.40
CDK5 Q00535 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKAA1 Q13131 2/20 0.40
STK3 Q13188 2/20 0.40
CAMK2B Q13554 2/20 0.40

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
SCHEMBL4066421 0.91 MAPK14 (0.44) PRKCQMAPK14
SCHEMBL3992567 0.87 MAPK14 (0.45) MAPK14
SCHEMBL4122831 0.82 MAPT (0.43) MAPK14
SCHEMBL4067941 0.81 PRKCQ (0.44) PRKCQMAPK14MAP4K4CDK1CYP3A4
SCHEMBL4063490 0.81 PRKCQ (0.44) PRKCQMAPK14
SCHEMBL4064669 0.79 MAPK14 (0.40) MAPK14MAPK9
SCHEMBL4067901 0.78 BRAF (0.38) PRKCQMAPK14CSNK1DRPS6KA3MAPK9
SCHEMBL3992075 0.77 MAPK14 (0.51) MAPK14CYP3A4
SCHEMBL4060662 0.76 PRKCQ (0.43) PRKCQMAPK14MAP4K4CDK1CYP3A4
SCHEMBL4067857 0.75 MAPK14 (0.45) PRKCQMAPK14CYP3A4CSNK1D

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