SCHEMBL30452748

SCHEMBL30452748

Nc1ncc(-c2cccc3[nH]ccc23)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.58
JAK2 O60674 3/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
PIK3CD O00329 3/20 0.40
PIK3CB P42338 2/20 0.40
MPO P05164 1/20 0.39
PIK3CG P48736 1/20 0.39
ATR Q13535 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ASH1L Q9NR48 1/20 0.39
HPGDS O60760 1/20 0.39
RHEB Q15382 1/20 0.38
USP7 Q93009 1/20 0.38
MAP4K3 Q8IVH8 2/20 0.38
PGK1 P00558 1/20 0.37

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
SCHEMBL487584 1.00 MET (0.58) METJAK2CSNK2BCSNK2A1PIK3CD
SCHEMBL30453292 0.96 MET (0.54) METJAK2CSNK2BCSNK2A1PIK3CD
SCHEMBL487645 0.96 MET (0.54) METJAK2CSNK2BCSNK2A1PIK3CD
SCHEMBL30454885 0.87 MET (0.42) METJAK2CSNK2BCSNK2A1PIK3CD
SCHEMBL487593 0.87 MET (0.42) METJAK2CSNK2BCSNK2A1PIK3CD
SCHEMBL6361398 0.81 MET (0.69) METJAK2MPOUSP7MAP4K3
SCHEMBL487767 0.80 MET (0.65) METPIK3CDMPO
SCHEMBL487729 0.78 MET (0.65) METJAK2MPOUSP7MAP4K3
SCHEMBL488040 0.78 MET (0.65) METJAK2PIK3CDPIK3CBMPO
SCHEMBL487522 0.78 MET (0.72) METJAK2MPOUSP7MAP4K3

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