SCHEMBL854602

SCHEMBL854602

CCCCCNc1nc(C)c(Cc2ccc(CCCCN(C)C)cc2OC)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.52
TLR8 Q9NR97 3/20 0.45

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
SCHEMBL853744 0.86 TLR7 (0.46) TLR7
SCHEMBL3701182 0.86 TLR7 (0.71) TLR7
SCHEMBL19056405 0.84 TLR7 (0.49) TLR7TLR8
SCHEMBL30036873 0.82 TLR7 (0.56) TLR7TLR8
SCHEMBL853935 0.82 TLR7 (0.51) TLR7TLR8
SCHEMBL854480 0.81 TLR7 (0.53) TLR7TLR8
SCHEMBL854702 0.79 HRH1 (0.46) TLR7TLR8
SCHEMBL854515 0.79 TLR7 (0.52) TLR7TLR8
SCHEMBL6125875 0.78 TLR8 (0.56) TLR7TLR8
SCHEMBL853443 0.78 TLR7 (0.45) 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