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SCHEMBL853443

SCHEMBL853443

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.45
▸ DHFR P00374 1/20 0.43
▸ DNM2 P50570 8/20 0.42
▸ TLR8 Q9NR97 3/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38

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 0.90 TLR7 (0.46) TLR7DHFR
SCHEMBL853213 0.87 TLR7 (0.57) TLR7DHFRTLR8
SCHEMBL853783 0.86 TLR7 (0.45) TLR7DHFRDNM2TLR8
SCHEMBL853483 0.85 DHFR (0.62) TLR7DHFR
SCHEMBL3700832 0.85 TLR7 (0.63) TLR7TLR8
SCHEMBL19056410 0.84 TLR7 (0.40) TLR7DHFRTLR8THRATHRB
SCHEMBL854702 0.83 HRH1 (0.46) TLR7DNM2TLR8
SCHEMBL854804 0.83 TLR7 (0.55) TLR7DHFRDNM2TLR8
SCHEMBL854017 0.81 DHFR (0.62) TLR7DHFRTLR8
SCHEMBL854602 0.78 TLR7 (0.52) 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