SCHEMBL13148451

SCHEMBL13148451

Cc1c(Nc2ccc(I)cc2F)c(C(N)=O)c2n(c1=O)CCC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.73
MAP2K2 P36507 6/20 0.46

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
SCHEMBL2426514 0.91 MAP2K1 (0.71) MAP2K1MAP2K2
SCHEMBL696783 0.90 MAP2K1 (0.72) MAP2K1MAP2K2
SCHEMBL695266 0.88 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL696584 0.88 MAP2K1 (0.73) MAP2K1MAP2K2
SCHEMBL3794238 0.85 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL2436858 0.85 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL2429156 0.84 MAP2K1 (0.78) MAP2K1MAP2K2
SCHEMBL13147940 0.83 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL693441 0.83 MAP2K1 (0.78) MAP2K1MAP2K2
SCHEMBL693915 0.82 MAP2K1 (0.71) 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
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed