SCHEMBL13616776

SCHEMBL13616776

CCOC(=O)c1c(N)c(C(C)=O)n(C)c1Nc1ccc(I)cc1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.57
MAP2K2 P36507 2/20 0.53
MAP2K5 Q13163 1/20 0.46
EIF2AK1 Q9BQI3 1/20 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
SCHEMBL1776709 0.90 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775329 0.88 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218952 0.81 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3800930 0.80 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL12274474 0.80 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775100 0.79 MAP2K1 (0.72) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL12274766 0.79 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4755503 0.77 MAP2K1 (0.69) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL16323082 0.77 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL12600067 0.77 MAP2K1 (0.67) 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-2113500-A1 MAPK/ERK kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed