SCHEMBL14015151

SCHEMBL14015151

COCC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.42
MAP2K2 P36507 3/20 0.42
TSHR P16473 1/20 0.39
MAP2K5 Q13163 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.38
P2RX7 Q99572 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL219000 0.88 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647529 0.83 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1MAPT
SCHEMBL220463 0.80 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL219365 0.78 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647524 0.78 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647530 0.77 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5MAPK1
SCHEMBL220911 0.76 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647549 0.76 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218752 0.74 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218952 0.73 MAP2K1 (0.58) 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
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed