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SCHEMBL854480

SCHEMBL854480

CCCCCNc1nc(C)c(Cc2cccc(CCCN(C)C)c2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 11/20 0.53
▸ TLR8 Q9NR97 2/20 0.46
▸ DHFR P00374 1/20 0.45
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ DNM2 P50570 4/20 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
SCHEMBL853935 0.90 TLR7 (0.51) TLR7TLR8DNM2
SCHEMBL853997 0.89 TLR7 (0.52) TLR7TLR8DHFRDNM2
SCHEMBL853483 0.87 DHFR (0.62) TLR7DHFR
SCHEMBL854017 0.85 DHFR (0.62) TLR7TLR8DHFR
SCHEMBL3700811 0.84 TLR7 (0.72) TLR7TLR8
SCHEMBL19056667 0.82 NOS1 (0.43) TLR7TLR8DHFRNOS3NOS1
SCHEMBL853209 0.81 DHFR (0.59) TLR7TLR8DHFR
SCHEMBL854054 0.81 TLR7 (0.44) TLR7TLR8DHFRDNM2
SCHEMBL854602 0.81 TLR7 (0.52) TLR7TLR8
SCHEMBL853213 0.80 TLR7 (0.57) TLR7TLR8DHFR

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