SCHEMBL4421645

SCHEMBL4421645

CS(=O)(=O)CCc1nc2c(F)c(Nc3ccc(Br)cc3Cl)c(-c3cnco3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.33
SMC2 O95347 1/20 0.32
EGFR P00533 1/20 0.32
CSNK2A2 P19784 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
SMC1A Q14683 1/20 0.32
Q6ZSR9 Q6ZSR9 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
IMPDH2 P12268 2/20 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
SCHEMBL1040484 0.78 MAP2K1 (0.43) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1042087 0.76 SMC2 (0.34) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL4421650 0.71
SCHEMBL12957284 0.69 IMPDH2 (0.35) IMPDH2
SCHEMBL27650280 0.69 MAP2K1 (0.38) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL2747756 0.62 MAP2K1 (0.44) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL2280384 0.61 MAP2K1 (0.45) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1041272 0.61 IDO1 (0.40) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1038852 0.61 MAP2K1 (0.44) AAK1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3861938 0.60 MAP2K1 (0.39) AAK1SMC2EGFRCSNK2A2MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130536-A1 N3 alkylated benzimidazole derivatives as mek inhibitors Array Biopharma, Inc. (US) 2009-12-09 EP disclosed