SCHEMBL30453770

SCHEMBL30453770

COc1c(F)cccc1C(C)Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.67
JAK2 O60674 7/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
ALK Q9UM73 5/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL488376 1.00 MET (0.67) METJAK2JAK1TYK2JAK3
SCHEMBL10270841 0.88 MET (0.66) METJAK2JAK1TYK2JAK3
SCHEMBL30453289 0.88 MET (0.66) METJAK2JAK1TYK2JAK3
SCHEMBL488357 0.88 MET (0.66) METJAK2JAK1TYK2JAK3
SCHEMBL10215074 0.86 MET (0.65) METJAK2KCNH2
SCHEMBL488583 0.86 MET (0.65) METJAK2KCNH2
SCHEMBL30454349 0.86 MET (0.65) METJAK2KCNH2
SCHEMBL10215079 0.85 MET (0.66) METJAK2JAK1TYK2JAK3
SCHEMBL10270463 0.85 MET (0.66) METJAK2JAK1TYK2JAK3
SCHEMBL5496122 0.84 MET (0.65) METJAK2JAK1TYK2JAK3

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