SCHEMBL3861246

SCHEMBL3861246

Fc1c(Nc2ccc(Br)cc2Cl)[c]cc2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.34
CSNK2A2 P19784 2/20 0.34
SMC2 O95347 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
SMC1A Q14683 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
RAB9A P51151 3/20 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
SCHEMBL6016776 0.82 EGFR (0.41) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL27670445 0.74 MAP2K1 (0.42) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL3859991 0.74 EGFR (0.38) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL1076189 0.74 MAP2K1 (0.42) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL6727195 0.74 SRC (0.45) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL3867167 0.74 PTGES (0.36) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL1038071 0.73 MAP2K1 (0.45) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL6016744 0.73 MAP2K1 (0.40) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL18272624 0.73 MAP2K1 (0.49) EGFRCSNK2A2SMC2MAP2K2MAP2K1
SCHEMBL1041272 0.72 IDO1 (0.40) EGFRCSNK2A2SMC2MAP2K2MAP2K1

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-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
WO-2005023251-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed