SCHEMBL13601940

SCHEMBL13601940

NC1CCN(CCCCn2cnc3c(F)c(Nc4ccc(Br)cc4Cl)c(C(=O)NOCC4CC4)cc32)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.56
MAP2K2 P36507 3/20 0.56
CSNK2A2 P19784 2/20 0.56
SMC2 O95347 1/20 0.56
EGFR P00533 1/20 0.56
SMC1A Q14683 1/20 0.56
AAK1 Q2M2I8 1/20 0.56
Q6ZSR9 Q6ZSR9 1/20 0.56
BMP2K Q9NSY1 1/20 0.56
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
RAF1 P04049 1/20 0.47
PDGFRB P09619 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
AURKC Q9UQB9 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4546079 0.93 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4546096 0.92 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL19140890 0.91 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL1041673 0.91 MAP2K1 (0.61) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4546084 0.90 MAP2K1 (0.54) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4545992 0.90 MAP2K1 (0.61) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4546087 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4546088 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4546075 0.90 MAP2K1 (0.60) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL18752739 0.90 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2SMC2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000810-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR ARRAY BIOPHARMA INC (US) 2017-07-19 EP disclosed
EP-3000810-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR Array Biopharma, Inc. (US) 2016-03-30 EP disclosed
EP-2130536-A1 N3 alkylated benzimidazole derivatives as mek inhibitors Array Biopharma, Inc. (US) 2009-12-09 EP disclosed