SCHEMBL3870169

SCHEMBL3870169

CS(=O)(=O)CCn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(CO)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.51
MAP2K2 P36507 2/20 0.51
EGFR P00533 2/20 0.51
SMC2 O95347 1/20 0.51
CSNK2A2 P19784 1/20 0.51
SMC1A Q14683 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
Q6ZSR9 Q6ZSR9 1/20 0.51
BMP2K Q9NSY1 1/20 0.51
ABCB11 O95342 1/20 0.41
NQO2 P16083 1/20 0.41
BRAF P15056 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 1/20 0.33
DDR1 Q08345 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL2021981 0.88 MAP2K1 (0.47) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL1041456 0.87 MAP2K1 (0.56) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL2023620 0.85 MAP2K1 (0.57) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL4546113 0.85 MAP2K1 (0.61) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL4546114 0.82 MAP2K1 (0.78) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL1040484 0.81 MAP2K1 (0.43) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL2280384 0.81 MAP2K1 (0.45) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL1076098 0.79 MAP2K1 (0.61) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL27601231 0.79 MAP2K1 (0.52) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL27601233 0.79 MAP2K1 (0.50) MAP2K1MAP2K2EGFRSMC2CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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