SCHEMBL19945800

SCHEMBL19945800

Cc1ccc(Cn2c(=O)[nH]c3c(N)ncnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.60
NSD3 Q9BZ95 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NSD2 O96028 1/20 0.49
TLR8 Q9NR97 1/20 0.48
NUDT1 P36639 1/20 0.48
PNP P00491 1/20 0.47

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
SCHEMBL19945293 0.88 TLR7 (0.59) TLR7NSD3NSD2TLR8NUDT1
SCHEMBL19945683 0.87 TLR7 (0.55) TLR7NSD3NSD2TLR8NUDT1
SCHEMBL18207604 0.81 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL29488791 0.81 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL21287858 0.77 TLR7 (0.67) TLR7TLR8
SCHEMBL14429607 0.77 ADORA2A (0.44) TLR7ALDH1A1PNP
SCHEMBL18207424 0.76 TLR7 (0.65) TLR7TLR8
SCHEMBL19969292 0.76 TLR7 (0.82) TLR7TLR8
SCHEMBL29488795 0.76 TLR7 (0.65) TLR7TLR8
SCHEMBL19945796 0.75 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