SCHEMBL14631982

SCHEMBL14631982

Cn1c(Nc2ccc(I)cc2F)c(OC(=O)NOC[C@@H](O)CCO)c(=O)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.52
MAP2K2 P36507 3/20 0.49
MAP2K5 Q13163 2/20 0.49
EIF2AK1 Q9BQI3 1/20 0.49
BRAF P15056 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL14631974 1.00 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632094 0.93 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632076 0.93 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL14632073 0.89 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631973 0.88 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14632108 0.87 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL217603 0.86 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL216997 0.86 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14632093 0.84 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631957 0.83 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1

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