SCHEMBL30453906

SCHEMBL30453906

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(Cl)cccc4Cl)c3)cc2)CC(C)N1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.61
MAP4K4 O95819 2/20 0.46
CSF1R P07333 1/20 0.42
MAP4K3 Q8IVH8 2/20 0.42
JAK2 O60674 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL488337 1.00 MET (0.61) METMAP4K4CSF1RMAP4K3JAK2
SCHEMBL10218093 0.91 MET (0.60) METMAP4K4MAP4K3
SCHEMBL30453012 0.89 MET (0.61) METMAP4K4MAP4K3JAK2
SCHEMBL488769 0.89 MET (0.61) METMAP4K4MAP4K3JAK2
SCHEMBL10218123 0.89 MET (0.61) METMAP4K4MAP4K3
SCHEMBL10215375 0.87 MET (0.69) METMAP4K3JAK2
SCHEMBL487998 0.87 MET (0.69) METMAP4K3JAK2
SCHEMBL30452803 0.87 MET (0.69) METMAP4K3JAK2
SCHEMBL10218129 0.87 MET (0.62) METMAP4K4MAP4K3NPC1RAB9A
SCHEMBL10218208 0.86 MET (0.62) METMAP4K4MAP4K3

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