SCHEMBL30453012

SCHEMBL30453012

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)cccc4F)c3)cc2)CC(C)N1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.61
MAP4K4 O95819 2/20 0.46
KCNH2 Q12809 2/20 0.41
JAK2 O60674 1/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL488769 1.00 MET (0.61) METMAP4K4KCNH2JAK2MAP4K3
SCHEMBL10218163 0.93 MET (0.56) METMAP4K4KCNH2MAP4K3
SCHEMBL10218136 0.92 MET (0.62) METMAP4K4KCNH2JAK2MAP4K3
SCHEMBL10218191 0.91 MET (0.58) METMAP4K4KCNH2MAP4K3
SCHEMBL10215375 0.91 MET (0.69) METJAK2MAP4K3
SCHEMBL30452803 0.91 MET (0.69) METJAK2MAP4K3
SCHEMBL487998 0.91 MET (0.69) METJAK2MAP4K3
SCHEMBL10218359 0.90 MET (0.60) METMAP4K4KCNH2JAK2MAP4K3
SCHEMBL30453906 0.89 MET (0.61) METMAP4K4JAK2MAP4K3
SCHEMBL488337 0.89 MET (0.61) METMAP4K4JAK2MAP4K3

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