SCHEMBL30452709

SCHEMBL30452709

CC(Oc1cc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.67
JAK2 O60674 3/20 0.57
ALK Q9UM73 8/20 0.57
MAP4K3 Q8IVH8 2/20 0.54
NUDT1 P36639 1/20 0.54
BMPR1B O00238 1/20 0.54
PLK4 O00444 1/20 0.54
RIOK3 O14730 1/20 0.54
IKBKB O14920 1/20 0.54
CASK O14936 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
MUSK O15146 1/20 0.54
EPHB6 O15197 1/20 0.54
INPPL1 O15357 1/20 0.54
MLNR O43193 1/20 0.54
MAP3K13 O43283 1/20 0.54
MAP3K7 O43318 1/20 0.54
RIPK2 O43353 1/20 0.54
ROCK2 O75116 1/20 0.54

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
SCHEMBL487822 1.00 MET (0.67) METJAK2ALKMAP4K3NUDT1
SCHEMBL10215526 1.00 MET (0.67) METJAK2ALKMAP4K3NUDT1
SCHEMBL487824 1.00 MET (0.67) METJAK2ALKMAP4K3NUDT1
SCHEMBL30454327 1.00 MET (0.67) METJAK2ALKMAP4K3NUDT1
SCHEMBL30452845 0.95 MET (0.60) METJAK2ALKMAP4K3NUDT1
SCHEMBL488142 0.95 MET (0.60) METJAK2ALKMAP4K3NUDT1
SCHEMBL488249 0.95 MET (0.60) METJAK2ALKMAP4K3NUDT1
SCHEMBL488140 0.95 MET (0.60) METJAK2ALKMAP4K3NUDT1
SCHEMBL30453217 0.95 MET (0.60) METJAK2ALKMAP4K3NUDT1
SCHEMBL487763 0.92 MET (0.79) METJAK2ALKMAP4K3NUDT1

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