SCHEMBL30453512

SCHEMBL30453512

CC(Oc1cc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.72
ALK Q9UM73 7/20 0.60
AXL P30530 2/20 0.58
JAK2 O60674 2/20 0.56
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

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
SCHEMBL488320 1.00 MET (0.72) METALKAXLJAK2MAP4K3
SCHEMBL30453117 0.95 MET (0.65) METALKAXLJAK2MAP4K3
SCHEMBL488450 0.95 MET (0.65) METALKAXLJAK2MAP4K3
SCHEMBL10216571 0.92 MET (0.72) METALKAXLJAK2MAP4K3
SCHEMBL30453946 0.92 MET (0.61) METALKAXLJAK2
SCHEMBL488197 0.92 MET (0.61) METALKAXLJAK2
SCHEMBL10216591 0.91 MET (0.71) METALKAXLJAK2MAP4K3
SCHEMBL14492943 0.91 MET (0.68) METALKAXLJAK2MAP4K3
SCHEMBL10216691 0.91 MET (0.68) METALKAXLJAK2MAP4K3
SCHEMBL10216489 0.91 MET (0.68) METALKAXLJAK2MAP4K3

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