SCHEMBL30453544

SCHEMBL30453544

CC(Oc1nc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.54
MAP4K4 O95819 3/20 0.51
ATR Q13535 2/20 0.48
GRK5 P34947 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
ALK Q9UM73 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CAMK2D Q13557 1/20 0.43
EPHX2 P34913 1/20 0.43
CHEK2 O96017 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE4B Q07343 1/20 0.43
ERN1 O75460 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
SCHEMBL488825 1.00 MET (0.54) METMAP4K4ATRGRK5PIK3CD
SCHEMBL30452825 0.96 MET (0.60) METMAP4K4ATRGRK5PIK3CD
SCHEMBL487974 0.96 MET (0.60) METMAP4K4ATRGRK5PIK3CD
SCHEMBL488531 0.94 MET (0.61) METMAP4K4ATRCHEK2
SCHEMBL30453089 0.94 MET (0.61) METMAP4K4ATRCHEK2
SCHEMBL30454107 0.92 MET (0.59) METATRALKCHEK2
SCHEMBL488600 0.92 MET (0.59) METATRALKCHEK2
SCHEMBL488272 0.92 MET (0.55) METMAP4K4PIK3CDPIK3CGALK
SCHEMBL30454831 0.92 MET (0.55) METMAP4K4PIK3CDPIK3CGALK
SCHEMBL488466 0.91 MET (0.53) METMAP4K4ATRCHEK2

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