SCHEMBL3821806

SCHEMBL3821806

Cn1c(CC=O)cc(C(=O)N2CC(NCCO)C2)c1Nc1ccc(I)cc1F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.54
MAP2K2 P36507 8/20 0.43
MAP2K5 Q13163 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.42

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
SCHEMBL1776932 0.85 MAP2K1 (0.75) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3818910 0.85 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3817487 0.82 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3819429 0.78 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3813540 0.78 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1488319 0.77 MAP2K2 (0.73) MAP2K1MAP2K2
SCHEMBL30220910 0.77 MAP2K2 (0.73) MAP2K1MAP2K2
SCHEMBL1776722 0.71 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1776529 0.70 MAP2K1 (0.73) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775393 0.70 MAP2K1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089359-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP claimed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO claimed
EP-2089359-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO disclosed