SCHEMBL697470

SCHEMBL697470

C=CC(=O)CONC(=O)c1c(Nc2ccc(Br)cc2F)c(C)c(=O)n2c1CCC2

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.63

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
SCHEMBL694614 0.88 MAP2K1 (0.68) MAP2K1
SCHEMBL711613 0.88 MAP2K1 (0.66) MAP2K1
SCHEMBL699795 0.87 MAP2K1 (0.81) MAP2K1
Water SCHEMBL2043985 0.86 MAP2K1 (0.80) MAP2K1
SCHEMBL698420 0.86 MAP2K1 (0.64) MAP2K1
SCHEMBL716680 0.85 MAP2K1 (0.65) MAP2K1
SCHEMBL695521 0.82 MAP2K1 (0.59) MAP2K1
SCHEMBL695266 0.82 MAP2K1 (0.58) MAP2K1
SCHEMBL696164 0.81 MAP2K1 (0.60) MAP2K1
SCHEMBL696211 0.81 MAP2K1 (0.56) MAP2K1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP claimed
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed