SCHEMBL30453677

SCHEMBL30453677

CN(C)[C@H]1CCN(C(=O)c2cccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.57
MAP4K4 O95819 1/20 0.44
CSF1R P07333 1/20 0.43

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
SCHEMBL14492860 1.00 ATR (0.57) ATRMAP4K4CSF1R
SCHEMBL488340 1.00 ATR (0.57) ATRMAP4K4CSF1R
SCHEMBL30453416 0.92 ATR (0.56) ATRCSF1R
SCHEMBL488602 0.92 ATR (0.56) ATRCSF1R
SCHEMBL488091 0.92 ATR (0.56) ATRCSF1R
SCHEMBL30453297 0.92 ATR (0.56) ATRCSF1R
SCHEMBL487949 0.89 KCNH2 (0.47) ATRCSF1R
SCHEMBL488252 0.89 KCNH2 (0.47) ATRCSF1R
SCHEMBL30453684 0.89 KCNH2 (0.47) ATRCSF1R
SCHEMBL30454761 0.89 KCNH2 (0.47) ATRCSF1R

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