SCHEMBL853744

SCHEMBL853744

CCCCCNc1nc(C)c(Cc2ccc(OCCCN(C)C)cc2OC)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.41

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 0.90 TLR7 (0.45) TLR7DHFR
SCHEMBL3701040 0.86 TLR7 (0.63) TLR7
SCHEMBL854602 0.86 TLR7 (0.52) TLR7
SCHEMBL19056666 0.84 TLR7 (0.50) TLR7
SCHEMBL854702 0.84 HRH1 (0.46) TLR7POLBMAPTRAD52BLM
SCHEMBL853213 0.84 TLR7 (0.57) TLR7DHFR
SCHEMBL861166 0.84 TLR7 (0.48) TLR7
SCHEMBL853964 0.83 TLR7 (0.49) TLR7POLBMAPT
SCHEMBL853483 0.83 DHFR (0.62) TLR7DHFR
SCHEMBL854804 0.81 TLR7 (0.55) TLR7DHFR

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