SCHEMBL27765754

SCHEMBL27765754

Cn1c(Nc2ccc(I)cc2CN)c(C(N)=O)c(=O)n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.37
MAP2K2 P36507 6/20 0.37
MAP2K5 Q13163 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.37

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
SCHEMBL219481 0.85 IDO1 (0.41) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL217405 0.84 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218385 0.75 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14015154 0.75 MAP2K1 (0.49) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL220560 0.74 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL13210468 0.73 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14014336 0.73 HTT (0.37) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3010504 0.73 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218724 0.73 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647529 0.73 MAP2K1 (0.54) 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
CN-101563338-A MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2009-10-21 CN claimed
CN-101563338-A MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2009-10-21 CN disclosed