SCHEMBL14631995

SCHEMBL14631995

Cn1c(Nc2ccc(I)c(F)c2F)c(OC(=O)NOC[C@H](O)CO)c(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.46
MAP2K2 P36507 3/20 0.39
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K5 Q13163 1/20 0.39

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
SCHEMBL14632076 0.86 MAP2K1 (0.60) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14632094 0.86 MAP2K1 (0.60) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14632038 0.85 MAP2K1 (0.46) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL220539 0.85 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL220540 0.85 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14631997 0.84 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14632037 0.83 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14632019 0.83 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14632073 0.81 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5
SCHEMBL14631982 0.80 MAP2K1 (0.52) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP claimed