SCHEMBL5563253

SCHEMBL5563253

CCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1S(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.78
MAP2K2 P36507 2/20 0.44
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44
SMC2 O95347 1/20 0.42
EGFR P00533 1/20 0.42
CSNK2A2 P19784 1/20 0.42
SMC1A Q14683 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42

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
SCHEMBL393767 0.88 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL393652 0.87 MAP2K1 (0.84) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL392127 0.80 MAP2K1 (0.81) MAP2K1MAP2K2
SCHEMBL392797 0.79 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL5557673 0.79 MAP2K1 (0.77) MAP2K1MAP2K2CSNK2A2
SCHEMBL5497932 0.79 MAP2K1 (0.86) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL392491 0.79 MAP2K1 (0.83) MAP2K1MAP2K2
SCHEMBL392789 0.79 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL392103 0.78 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL391068 0.78 MAP2K1 (0.79) MAP2K1MAP2K2

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-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP disclosed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed