SCHEMBL4418359

SCHEMBL4418359

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(OC(=O)NOC(C)(C)CO)cc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.60
MAP2K2 P36507 2/20 0.60
SMC2 O95347 1/20 0.60
EGFR P00533 1/20 0.60
CSNK2A2 P19784 1/20 0.60
SMC1A Q14683 1/20 0.60
AAK1 Q2M2I8 1/20 0.60
Q6ZSR9 Q6ZSR9 1/20 0.60
BMP2K Q9NSY1 1/20 0.60
ABCB11 O95342 1/20 0.50
NQO2 P16083 1/20 0.50
PTGES O14684 1/20 0.32
SRC P12931 1/20 0.31

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
SCHEMBL4415825 0.87 MAP2K1 (0.77) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL29541117 0.87 MAP2K1 (0.77) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL569749 0.87 MAP2K1 (0.77) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4421494 0.85 MAP2K1 (0.62) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13598926 0.80 MAP2K1 (0.65) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4418419 0.79 MAP2K1 (0.76) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4546051 0.79 MAP2K1 (0.76) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4429029 0.79 MAP2K1 (0.64) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL25656533 0.78 MAP2K1 (0.75) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1041569 0.77 MAP2K1 (0.73) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130536-B1 N3 alkylated benzimidazole derivatives as mek inhibitors ARRAY BIOPHARMA INC (US) 2013-05-08 EP claimed
EP-1482932-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-11-25 EP claimed