SCHEMBL30452884

SCHEMBL30452884

CC(Oc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cnc1N)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.59
CD274 Q9NZQ7 12/20 0.51
HPGD P15428 1/20 0.46
NEK2 P51955 1/20 0.45
PDE4B Q07343 1/20 0.44
HPGDS O60760 1/20 0.44
ALK Q9UM73 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL488139 1.00 MET (0.59) METCD274HPGDNEK2PDE4B
SCHEMBL488486 0.96 MET (0.54) METCD274NEK2ALK
SCHEMBL30453390 0.96 MET (0.54) METCD274NEK2ALK
SCHEMBL30452449 0.94 MET (0.68) METCD274NEK2
SCHEMBL488550 0.94 MET (0.68) METCD274NEK2
SCHEMBL30453107 0.89 MET (0.62) METNEK2
SCHEMBL488608 0.89 MET (0.62) METNEK2
SCHEMBL5482536 0.85 CD274 (0.53) METCD274HPGDPDE4BHPGDS
SCHEMBL30452523 0.83 MET (0.71) METCD274HPGDHPGDSALK
SCHEMBL488275 0.83 MET (0.71) METCD274HPGDHPGDSALK

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