SCHEMBL30453447

SCHEMBL30453447

Nc1ncc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.49
MAP4K4 O95819 1/20 0.48
GRK5 P34947 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
KLK7 P49862 1/20 0.46
KDR P35968 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL487728 1.00 MET (0.49) METMAP4K4GRK5PIK3CDPIK3CG
SCHEMBL488204 0.95 MAP4K4 (0.53) METMAP4K4GRK5PIK3CDPIK3CG
SCHEMBL30454809 0.95 MAP4K4 (0.53) METMAP4K4GRK5PIK3CDPIK3CG
SCHEMBL488053 0.93 MET (0.55) METMAP4K4KDRKMT2A
SCHEMBL30454113 0.93 MET (0.55) METMAP4K4KDRKMT2A
SCHEMBL30452926 0.92 MET (0.56) METKLK7KMT2A
SCHEMBL487849 0.92 MET (0.56) METKLK7KMT2A
SCHEMBL30454428 0.89 MET (0.59) METMAP4K4GRK5PIK3CDPIK3CG
SCHEMBL488235 0.89 MET (0.59) METMAP4K4GRK5PIK3CDPIK3CG
SCHEMBL488205 0.88 MAP4K4 (0.49) MAP4K4GRK5PIK3CDPIK3CGKLK7

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