SCHEMBL15463553

SCHEMBL15463553

Cc1c(Nc2ccc(Br)cc2F)c(OC(=O)NOCCO)cn(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.74
MAP2K2 P36507 2/20 0.51
ABCB11 O95342 1/20 0.51
NQO2 P16083 1/20 0.51

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
SCHEMBL15463478 0.91 MAP2K1 (0.61) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463508 0.91 MAP2K1 (0.73) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463526 0.89 MAP2K1 (0.59) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463501 0.89 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL15463504 0.88 MAP2K1 (0.72) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463477 0.86 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL15463449 0.86 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL393979 0.85 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463525 0.82 MAP2K1 (0.73) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15463541 0.81 MAP2K1 (0.49) 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