SCHEMBL30452844

SCHEMBL30452844

CC1CN(C(=O)c2cccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)c2)CC(C)N1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.48
ATR Q13535 11/20 0.43
CSF1R P07333 3/20 0.43
PTPN11 Q06124 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.36

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
SCHEMBL487807 1.00 MET (0.48) METATRCSF1RPTPN11MAP4K3
SCHEMBL10216291 1.00 MET (0.48) METATRCSF1RPTPN11MAP4K3
SCHEMBL30453714 0.91 MET (0.54) METATRCSF1RMAP4K3
SCHEMBL488137 0.91 MET (0.54) METATRCSF1RMAP4K3
SCHEMBL10216276 0.91 MET (0.54) METATRCSF1RMAP4K3
SCHEMBL488222 0.86 MET (0.58) METMAP4K3
SCHEMBL10215391 0.86 MET (0.58) METMAP4K3
SCHEMBL30453663 0.86 MET (0.58) METMAP4K3
SCHEMBL488822 0.86 ATR (0.53) METATRCSF1R
SCHEMBL30452937 0.86 ATR (0.53) METATRCSF1R

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