SCHEMBL30453239

SCHEMBL30453239

CN(C)[C@@H]1CCN(C(=O)c2cc3cc(-c4cnc(N)c(OCc5c(Cl)cccc5Cl)c4)ccc3[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.48
BTK Q06187 1/20 0.44
ATR Q13535 9/20 0.44
ABCB1 P08183 2/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
MAP4K4 O95819 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 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
SCHEMBL487826 1.00 MET (0.48) METBTKATRABCB1TLR9
SCHEMBL30453573 0.90 MET (0.50) METABCB1
SCHEMBL487846 0.90 MET (0.50) METABCB1
SCHEMBL10215231 0.88 MET (0.48) METBTKABCB1
SCHEMBL30452497 0.86 MET (0.52) METABCB1
SCHEMBL487621 0.86 MET (0.52) METABCB1
SCHEMBL488164 0.85 MET (0.61) METATR
SCHEMBL30453385 0.85 MET (0.61) METATR
SCHEMBL30454114 0.85 MET (0.61) METATR
SCHEMBL487911 0.85 MET (0.61) METATR

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