SCHEMBL3859993

SCHEMBL3859993

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.58
MAP2K2 P36507 2/20 0.58
SMC2 O95347 1/20 0.58
EGFR P00533 1/20 0.58
CSNK2A2 P19784 1/20 0.58
SMC1A Q14683 1/20 0.58
AAK1 Q2M2I8 1/20 0.58
Q6ZSR9 Q6ZSR9 1/20 0.58
BMP2K Q9NSY1 1/20 0.58
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 1/20 0.33
SRC P12931 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL27601206 0.84 MAP2K1 (0.64) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3864000 0.83 MAP2K1 (0.55) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL2277841 0.83 MAP2K1 (0.60) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1042320 0.82 MAP2K1 (0.53) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL19014958 0.81 MAP2K1 (0.61) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL26937949 0.81 MAP2K1 (0.69) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3860279 0.81 MAP2K1 (0.55) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1488195 0.81 MAP2K1 (0.71) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL30746854 0.81 MAP2K1 (0.71) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL30733259 0.81 MAP2K1 (0.71) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP claimed
EP-1482932-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP claimed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO claimed
EP-2739358-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-06-11 EP disclosed
WO-2013019906-A9 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2014-03-20 WO disclosed
WO-2013019906-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2013-02-07 WO disclosed
EP-1663210-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-04-22 EP disclosed
EP-1663210-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2006-06-07 EP disclosed
EP-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP disclosed
WO-2005023251-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
EP-1482932-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP disclosed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO disclosed