SCHEMBL4067103

SCHEMBL4067103

CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])c(NCC(C)(C)C)n2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
JAK2 O60674 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 3/20 0.35
MEN1 O00255 2/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK11 Q15759 2/20 0.34
RIPK2 O43353 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3992075 0.87 MAPK14 (0.51) MAPK14JAK2CYP3A4MEN1MAPK13
SCHEMBL4060662 0.85 PRKCQ (0.43) MAPK14CYP3A4MAPK13MAPK12MAPK11
SCHEMBL4071112 0.84 CSNK1A1 (0.43) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL4063899 0.83 MAPK14 (0.54) MAPK14CYP3A4MEN1MAPK13MAPK12
SCHEMBL4061072 0.81 MAPK14 (0.55) MAPK14JAK2CYP3A4MEN1MAPK13
SCHEMBL4069095 0.80 MAPK14 (0.49) MAPK14CYP3A4MEN1MAPK13MAPK12
SCHEMBL3992567 0.77 MAPK14 (0.45) MAPK14KDM4EMEN1KMT2ARIPK2
SCHEMBL3997933 0.76 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3991522 0.75 BRAF (0.45) MAPK14CYP3A4MEN1MAPK13MAPK12
SCHEMBL4066421 0.75 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF

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