SCHEMBL853783

SCHEMBL853783

CCCCCNc1nc(C)c(Cc2ccc(OC)cc2C)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.45
TLR8 Q9NR97 1/20 0.41
DHFR P00374 1/20 0.39
DNM2 P50570 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL853443 0.86 TLR7 (0.45) TLR7TLR8DHFRDNM2
SCHEMBL854178 0.85 ALDH1A1 (0.51) TLR7TLR8DHFR
SCHEMBL3701139 0.83 TLR7 (0.64) TLR7TLR8
SCHEMBL853209 0.83 DHFR (0.59) TLR7TLR8DHFR
SCHEMBL854515 0.81 TLR7 (0.52) TLR7TLR8
SCHEMBL19056490 0.81 TLR7 (0.40) TLR7TLR8MAPT
SCHEMBL853744 0.80 TLR7 (0.46) TLR7DHFRMAPT
SCHEMBL28873208 0.78 TLR7 (0.55) TLR7TLR8
SCHEMBL30036873 0.77 TLR7 (0.56) TLR7TLR8
SCHEMBL861166 0.77 TLR7 (0.48) 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