SCHEMBL30453714

SCHEMBL30453714

CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)cc2)CC(C)N1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.54
CSF1R P07333 2/20 0.47
ATR Q13535 10/20 0.43
KCNH2 Q12809 4/20 0.42
MAP4K3 Q8IVH8 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
SCHEMBL488137 1.00 MET (0.54) METCSF1RATRKCNH2MAP4K3
SCHEMBL10216276 1.00 MET (0.54) METCSF1RATRKCNH2MAP4K3
SCHEMBL30452844 0.91 MET (0.48) METCSF1RATRMAP4K3
SCHEMBL10216291 0.91 MET (0.48) METCSF1RATRMAP4K3
SCHEMBL487807 0.91 MET (0.48) METCSF1RATRMAP4K3
SCHEMBL488017 0.85 KCNH2 (0.53) METCSF1RATRKCNH2
SCHEMBL30453528 0.85 KCNH2 (0.53) METCSF1RATRKCNH2
SCHEMBL30453871 0.85 MET (0.42) METCSF1RMAP4K3
SCHEMBL488396 0.85 MET (0.42) METCSF1RMAP4K3
SCHEMBL487921 0.85 KCNH2 (0.58) METCSF1RATRKCNH2

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