SCHEMBL30454428

SCHEMBL30454428

Nc1ncc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.59
MAP4K4 O95819 4/20 0.51
ATR Q13535 2/20 0.51
ERN1 O75460 1/20 0.45
IKBKB O14920 1/20 0.44
FYN P06241 1/20 0.44
KDR P35968 2/20 0.43
GRK5 P34947 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL488235 1.00 MET (0.59) METMAP4K4ATRERN1IKBKB
SCHEMBL488053 0.95 MET (0.55) METMAP4K4ATRFYNKDR
SCHEMBL30454113 0.95 MET (0.55) METMAP4K4ATRFYNKDR
SCHEMBL30454809 0.93 MAP4K4 (0.53) METMAP4K4ERN1KDRGRK5
SCHEMBL488204 0.93 MAP4K4 (0.53) METMAP4K4ERN1KDRGRK5
SCHEMBL488490 0.92 MET (0.52) METMAP4K4ATRFYNGRK5
SCHEMBL30453942 0.91 MET (0.70) METATR
SCHEMBL487903 0.91 MET (0.70) METATR
SCHEMBL487728 0.89 MET (0.49) METMAP4K4KDRGRK5PIK3CD
SCHEMBL30453447 0.89 MET (0.49) METMAP4K4KDRGRK5PIK3CD

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed