SCHEMBL15463525

SCHEMBL15463525

CCONC(=O)Oc1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.73
MAP2K2 P36507 2/20 0.45
ABCB11 O95342 1/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL15463508 0.91 MAP2K1 (0.73) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463499 0.89 MAP2K1 (0.71) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463524 0.88 MAP2K1 (0.75) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463488 0.87 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL15463542 0.86 MAP2K1 (0.71) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL393767 0.84 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463553 0.82 MAP2K1 (0.74) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463504 0.80 MAP2K1 (0.72) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463539 0.80 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL15463487 0.79 MAP2K1 (0.76) 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 1 patent. 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