SCHEMBL14631997

SCHEMBL14631997

Cc1cc(I)ccc1Nc1c(OC(=O)NOC[C@H](O)CO)c(=O)n(C)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.48
MAP2K2 P36507 4/20 0.41
MAP2K5 Q13163 2/20 0.41
EIF2AK1 Q9BQI3 1/20 0.41
BRAF P15056 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL14632094 0.90 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632037 0.90 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL14632019 0.90 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL14632076 0.90 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632059 0.88 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL220013 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL220014 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632038 0.84 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL14631995 0.84 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL14631982 0.83 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF

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