SCHEMBL4414265

SCHEMBL4414265

O=C(O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.53
MAP2K2 P36507 2/20 0.44
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44
IDO1 P14902 1/20 0.41
ACLY P53396 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1038071 0.89 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2ACLY
SCHEMBL6016781 0.89 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2IDO1
SCHEMBL1040015 0.88 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL27168260 0.87 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2IDO1
SCHEMBL30434058 0.82 MAP2K1 (0.67) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL29073449 0.82 MAP2K1 (0.67) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL19668525 0.82 MAP2K1 (0.53) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL19668524 0.81 MAP2K1 (0.50) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL6016670 0.80 MAP2K1 (0.48) MAP2K1MAP2K2ACLYALDH1A1LMNA
SCHEMBL18272624 0.80 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020212832-A1 PROCESS OF PREPARATION OF BENZIMIDAZOLE COMPOUNDS ALEMBIC PHARMACEUTICALS LIMITED (IN) 2020-10-22 WO disclosed
EP-1482932-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-11-25 EP disclosed
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