SCHEMBL30452564

SCHEMBL30452564

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)s2)CC(C)N1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.52
MAP4K3 Q8IVH8 4/20 0.45
JAK2 O60674 1/20 0.45
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL6 P41182 1/20 0.36

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
SCHEMBL10215491 1.00 MET (0.52) METMAP4K3JAK2PIK3CAMTOR
SCHEMBL488176 1.00 MET (0.52) METMAP4K3JAK2PIK3CAMTOR
SCHEMBL30454688 0.86 MET (0.49) METMAP4K3JAK2KDM4ENPC1
SCHEMBL487709 0.86 MET (0.49) METMAP4K3JAK2KDM4ENPC1
SCHEMBL30452803 0.85 MET (0.69) METMAP4K3JAK2
SCHEMBL10215375 0.85 MET (0.69) METMAP4K3JAK2
SCHEMBL487998 0.85 MET (0.69) METMAP4K3JAK2
SCHEMBL30453871 0.85 MET (0.42) METMAP4K3JAK2PIK3CAMTOR
SCHEMBL488396 0.85 MET (0.42) METMAP4K3JAK2PIK3CAMTOR
SCHEMBL10215391 0.83 MET (0.58) METMAP4K3JAK2NPC1RAB9A

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