SCHEMBL853345

SCHEMBL853345

CCCCCN.CCCCCNc1nc(N)nc(C)c1Cc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.69

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
SCHEMBL855558 0.96 TLR7 (0.74) TLR7
SCHEMBL2844424 0.94 TLR7 (0.73) TLR7
SCHEMBL30036407 0.94 TLR7 (0.73) TLR7
SCHEMBL854957 0.89 TLR7 (0.74) TLR7
SCHEMBL29352884 0.89 TLR7 (0.74) TLR7
SCHEMBL853435 0.87 TLR7 (0.74) TLR7
SCHEMBL30036415 0.86 TLR7 (0.75) TLR7
SCHEMBL30036392 0.86 TLR7 (0.75) TLR7
SCHEMBL20212217 0.86 TLR7 (0.75) TLR7
SCHEMBL853929 0.85 TLR7 (0.66) 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