SCHEMBL30747804

SCHEMBL30747804

CN(C)CCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(P(C)(C)=O)nc32)cn1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.85
IL6 P05231 4/20 0.51
NUDT1 P36639 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
SCHEMBL27249516 1.00 TLR7 (0.85) TLR7IL6NUDT1
SCHEMBL27249641 0.92 TLR7 (1.00) TLR7IL6
SCHEMBL27249640 0.92 TLR7 (1.00) TLR7IL6
SCHEMBL30747687 0.92 TLR7 (1.00) TLR7IL6
SCHEMBL30747764 0.92 TLR7 (1.00) TLR7IL6
SCHEMBL1146668 0.86 TLR7 (0.72) TLR7IL6NUDT1
SCHEMBL30323751 0.85 TLR7 (0.74) TLR7IL6
SCHEMBL1146385 0.85 TLR7 (0.74) TLR7IL6
SCHEMBL20756317 0.85 TLR7 (0.73) TLR7IL6
SCHEMBL30747794 0.84 TLR7 (0.83) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013205-A9 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2025-04-10 WO claimed
EP-4554678-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-21 EP disclosed
WO-2024013205-A9 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2025-04-10 WO disclosed
WO-2024013205-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-18 WO disclosed