SCHEMBL30452701

SCHEMBL30452701

Nc1ncc(-c2cccnc2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.70
JAK2 O60674 2/20 0.54
SGMS2 Q8NHU3 2/20 0.45
FYN P06241 1/20 0.44
MPO P05164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP2A6 P11509 1/20 0.42
CHEK2 O96017 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL488667 1.00 MET (0.70) METJAK2SGMS2FYNMPO
SCHEMBL30453556 0.87 MET (0.77) METJAK2MPOSMN1; SMN2MAP4K3
SCHEMBL487739 0.87 MET (0.77) METJAK2MPOSMN1; SMN2MAP4K3
SCHEMBL488323 0.87 MET (0.73) METJAK2MPOSMN1; SMN2MAP4K3
SCHEMBL487907 0.87 MET (0.81) METJAK2FYNMPOMAP4K3
SCHEMBL488416 0.86 MAP4K3 (0.54) METJAK2SGMS2FYNMPO
SCHEMBL30454968 0.86 MAP4K3 (0.54) METJAK2SGMS2FYNMPO
Water SCHEMBL28121971 0.86 MET (0.79) METJAK2FYNMPOMAP4K3
SCHEMBL488258 0.85 MET (0.77) METJAK2MPOMAP4K3MAP4K4
SCHEMBL487572 0.85 MET (0.73) METJAK2FYNMPOMAP4K3

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