SCHEMBL20106876

SCHEMBL20106876

Nc1nc(SCCCCl)nc2c1[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.61
NUDT1 P36639 1/20 0.55

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
SCHEMBL20107050 0.91 TLR7 (0.57) TLR7NUDT1
SCHEMBL20106973 0.91 TLR7 (0.61) TLR7NUDT1
SCHEMBL20106828 0.90 TLR7 (0.58) TLR7NUDT1
SCHEMBL20107047 0.90 TLR7 (0.54) TLR7
SCHEMBL18207699 0.90 TLR7 (0.66) TLR7
SCHEMBL20107030 0.88 TLR7 (0.56) TLR7NUDT1
SCHEMBL18207654 0.88 TLR7 (0.65) TLR7NUDT1
SCHEMBL18237013 0.88 TLR7 (0.62) TLR7NUDT1
SCHEMBL18207310 0.88 TLR7 (0.65) TLR7NUDT1
SCHEMBL18207710 0.87 TLR7 (0.65) TLR7NUDT1

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
WO-2018078149-A1 NOVEL CYCLICSULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-05-03 WO disclosed