SCHEMBL854393

SCHEMBL854393

COc1cc(C(=O)O)ccc1Cc1c(C)nc(N)nc1NC(C)CCCO

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.55
TLR8 Q9NR97 5/20 0.54

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
SCHEMBL28697055 1.00 TLR7 (0.55) TLR7TLR8
SCHEMBL29351456 1.00 TLR7 (0.55) TLR7TLR8
SCHEMBL21854560 0.88 TLR8 (0.50) TLR7TLR8
SCHEMBL2850299 0.88 TLR7 (0.65) TLR7TLR8
SCHEMBL2847749 0.88 TLR7 (0.65) TLR7TLR8
SCHEMBL2843476 0.85 TLR7 (0.64) TLR7TLR8
SCHEMBL2850753 0.85 TLR7 (0.64) TLR7TLR8
SCHEMBL860823 0.85 TLR7 (0.76) TLR7TLR8
SCHEMBL3708640 0.84 TLR7 (0.75) TLR7TLR8
SCHEMBL861450 0.84 TLR7 (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966326-A Water soluble adjuvants 大日本住友制药株式会社 2022-01-21 CN disclosed
EP-2432768-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES AstraZeneca AB (SE) 2012-03-28 EP disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 WO disclosed