SCHEMBL30453726

SCHEMBL30453726

CC(Oc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.62
ALK Q9UM73 2/20 0.52
GRK5 P34947 1/20 0.52
MAP4K4 O95819 1/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CG P48736 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ERN1 O75460 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE4B Q07343 1/20 0.47
CD274 Q9NZQ7 3/20 0.46
EPHX2 P34913 1/20 0.45
CAMK2D Q13557 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL488067 1.00 MET (0.62) METALKGRK5MAP4K4PIK3CD
SCHEMBL30452523 0.93 MET (0.71) METALKCD274
SCHEMBL488275 0.93 MET (0.71) METALKCD274
SCHEMBL30452645 0.93 MET (0.71) METALKGRK5MAP4K4ERN1
SCHEMBL488314 0.93 MET (0.71) METALKGRK5MAP4K4ERN1
SCHEMBL30453721 0.92 MET (0.75) METALK
SCHEMBL487746 0.92 MET (0.75) METALK
SCHEMBL488589 0.90 MET (0.68) METALKGRK5MAP4K4
SCHEMBL30453756 0.90 MET (0.68) METALKGRK5MAP4K4
SCHEMBL488308 0.90 MET (0.61) METALKGRK5MAP4K4

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