SCHEMBL30453663

SCHEMBL30453663

CC1CN(C(=O)c2cccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)c2)CC(C)N1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.58
MAP4K3 Q8IVH8 2/20 0.47
JAK2 O60674 1/20 0.47
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FYN P06241 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL488222 1.00 MET (0.58) METMAP4K3JAK2NPC1RAB9A
SCHEMBL10215391 1.00 MET (0.58) METMAP4K3JAK2NPC1RAB9A
SCHEMBL487998 0.91 MET (0.69) METMAP4K3JAK2
SCHEMBL30452803 0.91 MET (0.69) METMAP4K3JAK2
SCHEMBL10215375 0.91 MET (0.69) METMAP4K3JAK2
SCHEMBL10216291 0.86 MET (0.48) METMAP4K3
SCHEMBL30452844 0.86 MET (0.48) METMAP4K3
SCHEMBL487807 0.86 MET (0.48) METMAP4K3
SCHEMBL30453694 0.86 MET (0.54) METNPC1RAB9ASMN1; SMN2FYN
SCHEMBL487934 0.86 MET (0.54) METNPC1RAB9ASMN1; SMN2FYN

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