SCHEMBL853935

SCHEMBL853935

CCCCCNc1nc(C)c(Cc2ccc(CCCN(C)C)cc2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.51
TLR8 Q9NR97 2/20 0.49
DNM2 P50570 6/20 0.43

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
SCHEMBL854480 0.90 TLR7 (0.53) TLR7TLR8DNM2
SCHEMBL853213 0.88 TLR7 (0.57) TLR7TLR8
SCHEMBL854804 0.85 TLR7 (0.55) TLR7TLR8DNM2
SCHEMBL853346 0.83 TLR7 (0.47) TLR7TLR8
SCHEMBL3698324 0.83 TLR7 (0.71) TLR7TLR8
SCHEMBL854602 0.82 TLR7 (0.52) TLR7TLR8
SCHEMBL860985 0.81 TLR7 (0.42) TLR7TLR8DNM2
SCHEMBL854178 0.81 ALDH1A1 (0.51) TLR7TLR8
SCHEMBL19056650 0.81 TLR7 (0.40) TLR7TLR8
SCHEMBL853483 0.80 DHFR (0.62) 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 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