SCHEMBL6016744

SCHEMBL6016744

CC([O])c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.40
EGFR P00533 3/20 0.40
SMC2 O95347 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MAP2K2 P36507 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
MAPK1 P28482 1/20 0.36
SRC P12931 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PRNP P04156 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
SCHEMBL3866011 0.85 MAP2K1 (0.38) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27601455 0.85 MAP2K1 (0.42) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL1040290 0.85 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3861942 0.85 MAP2K1 (0.41) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3865003 0.85 SMC2 (0.36) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27670445 0.84 MAP2K1 (0.42) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3861938 0.84 MAP2K1 (0.39) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL6016735 0.83 MAP2K1 (0.38) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL27619779 0.83 MAP2K1 (0.40) MAP2K1EGFRSMC2CSNK2A2MAP2K2
SCHEMBL3860718 0.82 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