SCHEMBL30453657

SCHEMBL30453657

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OC(C)c4cccc(C(F)(F)F)c4)c3)cc2)CC(C)N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.64
KCNH2 Q12809 5/20 0.46
JAK2 O60674 1/20 0.42
SLC6A4 P31645 5/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A7 Q99884 1/20 0.41
GHSR Q92847 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL10215068 1.00 MET (0.64) METKCNH2JAK2SLC6A4HTR2C
SCHEMBL488307 1.00 MET (0.64) METKCNH2JAK2SLC6A4HTR2C
SCHEMBL10381874 0.91 MET (0.53) METKCNH2JAK2SLC6A4HTR2C
SCHEMBL13455023 0.89 MET (0.65) METKCNH2JAK2CCNCCDK8
SCHEMBL488408 0.86 MET (0.76) METKCNH2JAK2SLC6A4HTR2B
SCHEMBL30454187 0.86 MET (0.76) METKCNH2JAK2SLC6A4HTR2B
SCHEMBL13010719 0.86 MET (0.47) METKCNH2JAK2SLC6A4HTR2C
SCHEMBL30454349 0.85 MET (0.65) METKCNH2JAK2
SCHEMBL488583 0.85 MET (0.65) METKCNH2JAK2
SCHEMBL10215074 0.85 MET (0.65) METKCNH2JAK2

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