SCHEMBL6016735

SCHEMBL6016735

CCOC(C=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.38
EGFR P00533 2/20 0.38
SMC2 O95347 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SRC P12931 1/20 0.32
KDR P35968 1/20 0.31
PKM P14618 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL3866011 0.90 MAP2K1 (0.38) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3864399 0.88 SMC2 (0.35) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3860718 0.85 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL6016744 0.83 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3865003 0.82 SMC2 (0.36) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL2021275 0.81 MAP2K1 (0.39) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27601455 0.81 MAP2K1 (0.42) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27670445 0.80 MAP2K1 (0.42) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27619779 0.79 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL1040290 0.79 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2

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-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP 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