SCHEMBL14944675

SCHEMBL14944675

CCC(C)c1c[nH]c(-c2nc(N)c3[nH]c(=O)n(Cc4ccccc4)c3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.56
NUDT1 P36639 1/20 0.49
TLR8 Q9NR97 1/20 0.47

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
SCHEMBL14944730 0.91 TLR7 (0.59) TLR7NUDT1
SCHEMBL14944629 0.85 TLR7 (0.61) TLR7NUDT1TLR8
SCHEMBL14944695 0.84 TLR7 (0.66) TLR7NUDT1
SCHEMBL16206184 0.81 TLR7 (0.59) TLR7NUDT1
SCHEMBL14944579 0.81 TLR7 (0.58) TLR7NUDT1TLR8
SCHEMBL14944642 0.79 TLR7 (0.58) TLR7NUDT1
SCHEMBL14944577 0.78 TLR7 (0.55) TLR7NUDT1
SCHEMBL14944656 0.77 TLR7 (0.53) TLR7NUDT1
SCHEMBL16206180 0.77 TLR7 (0.67) TLR7NUDT1
SCHEMBL14944584 0.77 TLR7 (0.61) TLR7NUDT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013068438-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2013-05-16 WO disclosed