SCHEMBL19945293

SCHEMBL19945293

Nc1ncnc2c1[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.59
TLR8 Q9NR97 1/20 0.58
NSD2 O96028 1/20 0.50
NSD3 Q9BZ95 1/20 0.50
TRAP1 Q12931 2/20 0.48
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
HSP90B1 P14625 1/20 0.48
PNP P00491 1/20 0.48
NUDT1 P36639 1/20 0.46

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
SCHEMBL19945800 0.88 TLR7 (0.60) TLR7TLR8NSD2NSD3PNP
SCHEMBL19945683 0.88 TLR7 (0.55) TLR7TLR8NSD2NSD3TRAP1
SCHEMBL29488793 0.80 TLR7 (0.67) TLR7TLR8TRAP1HSP90B1NUDT1
SCHEMBL18207673 0.80 TLR7 (0.67) TLR7TLR8TRAP1HSP90B1NUDT1
SCHEMBL7681629 0.77 PNP (0.80) TLR7TLR8BRD4BRD2BRD3
SCHEMBL18207308 0.76 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL21287888 0.75 TLR7 (0.66) TLR7TLR8
SCHEMBL7682667 0.75 PNP (0.60) TLR7TLR8TRAP1BRD4BRD2
SCHEMBL18207528 0.74 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL18207518 0.74 TLR7 (1.00) TLR7TLR8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970750-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
EP-3512556-B1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR HOFFMANN LA ROCHE (CH) 2021-08-18 EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP disclosed
WO-2018050571-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2018-03-22 WO disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 WO disclosed