SCHEMBL861830

SCHEMBL861830

CCCCCNc1nc(C)c(Cc2ccc(OCCCN3CCN(C)CC3)cc2)c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.60
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
TLR8 Q9NR97 1/20 0.46
HRH3 Q9Y5N1 2/20 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
SCHEMBL861355 0.94 TLR7 (0.56) TLR7TLR8HRH3
SCHEMBL853436 0.90 TLR7 (0.54) TLR7
SCHEMBL861166 0.86 TLR7 (0.48) TLR7TLR8
SCHEMBL3696967 0.85 TLR7 (0.80) TLR7TLR8
SCHEMBL855086 0.85 DHFR (0.47) TLR7TLR8
SCHEMBL854804 0.82 TLR7 (0.55) TLR7TLR8
SCHEMBL853213 0.82 TLR7 (0.57) TLR7TLR8
SCHEMBL854178 0.80 ALDH1A1 (0.51) TLR7TLR8
SCHEMBL853780 0.80 DHFR (0.58) TLR7
SCHEMBL861371 0.79 DHFR (0.57) 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