SCHEMBL30452704

SCHEMBL30452704

CC(Oc1nc(-c2ccc(NC(=O)NCCO)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.45
MAP4K3 Q8IVH8 1/20 0.44
CHEK2 O96017 1/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PDGFRA P16234 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ATR Q13535 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKDC P78527 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL488978 1.00 MET (0.45) METMAP4K3CHEK2PIK3CAPIK3CD
SCHEMBL30454699 0.95 MET (0.51) METMAP4K3CHEK2
SCHEMBL488836 0.95 MET (0.51) METMAP4K3CHEK2
SCHEMBL30453380 0.88 MET (0.55) METMAP4K3CHEK2ATR
SCHEMBL488697 0.88 MET (0.55) METMAP4K3CHEK2ATR
SCHEMBL488027 0.86 MET (0.38) METAURKA
SCHEMBL30453036 0.86 CNR1 (0.49) METMAP4K3PIK3CAPIK3CDPIK3CG
SCHEMBL488395 0.86 CNR1 (0.49) METMAP4K3PIK3CAPIK3CDPIK3CG
SCHEMBL487897 0.84 MET (0.56) MET
SCHEMBL30454510 0.84 MET (0.56) MET

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