SCHEMBL13617050

SCHEMBL13617050

C=C(NOCCO)c1cc(C(C)=O)n(C)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.65
MAP2K2 P36507 2/20 0.48
MAP2K5 Q13163 1/20 0.48
EIF2AK1 Q9BQI3 1/20 0.48

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
SCHEMBL1775939 0.90 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL13617046 0.89 MAP2K1 (0.82) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1774521 0.80 MAP2K1 (0.80) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14205758 0.80 MAP2K1 (0.68) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14205847 0.79 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14205760 0.79 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL13616884 0.79 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775958 0.79 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1777951 0.79 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL391286 0.78 MAP2K1 (0.59) 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 2 patents. 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
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO disclosed