SCHEMBL5557673

SCHEMBL5557673

Cc1c(Nc2ccc(Br)cc2S(C)(=O)=O)c(C(=O)NOCC2CC2)cn(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.77
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CAMK2A Q9UQM7 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
SCHEMBL392849 0.89 MAP2K1 (0.83) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL391225 0.87 MAP2K1 (1.00) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL14549245 0.81 MAP2K1 (0.70) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL392935 0.80 MAP2K1 (0.85) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL388716 0.80 MAP2K1 (0.69) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL393781 0.79 MAP2K1 (1.00) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5563253 0.79 MAP2K1 (0.78) MAP2K1CSNK2A2MAP2K2
SCHEMBL393563 0.78 MAP2K1 (0.81) MAP2K1MEN1KMT2ATDP1RAF1
SCHEMBL392691 0.78 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL387566 0.78 MAP2K1 (0.84) MAP2K1MEN1KMT2ATDP1RAF1

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