SCHEMBL854549

SCHEMBL854549

COc1cc(OCCCN(C)C)ccc1Cc1c(C)nc(N)nc1OC(=O)ONC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.47
TLR8 Q9NR97 3/20 0.39

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
Guanidine SCHEMBL854548 0.82 TLR7 (0.50) TLR7TLR8
SCHEMBL3699875 0.81 TLR7 (0.51) TLR7TLR8
SCHEMBL853960 0.81 NPSR1 (0.51) TLR7TLR8
SCHEMBL3701040 0.75 TLR7 (0.63) TLR7
SCHEMBL6119291 0.73 TLR7 (0.72) TLR7TLR8
SCHEMBL8887148 0.73 TLR7 (0.72) TLR7TLR8
SCHEMBL6118784 0.73 TLR7 (0.80) TLR7TLR8
SCHEMBL6118752 0.73 TLR7 (0.80) TLR7TLR8
SCHEMBL8527802 0.70 TLR7 (0.68) TLR7TLR8
SCHEMBL8894288 0.70 TLR7 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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