SCHEMBL1023540

SCHEMBL1023540

Cn1c(Nc2ccc(Br)cc2F)c(OC(=O)NOCCO)cc(F)c1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.57
MAP2K2 P36507 3/20 0.51
MAP2K5 Q13163 1/20 0.51
EIF2AK1 Q9BQI3 1/20 0.51
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47

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
SCHEMBL1021655 0.89 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL392066 0.84 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL14631994 0.84 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL1021500 0.81 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL15463553 0.80 MAP2K1 (0.74) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL391555 0.80 MAP2K1 (0.66) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL12954592 0.79 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL393158 0.79 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL388723 0.78 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL388763 0.78 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11

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-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP claimed
EP-1682138-B3 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2013-01-09 EP claimed
EP-1682138-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2011-01-12 EP claimed