SCHEMBL14944726

SCHEMBL14944726

Cc1cnn(N)c1-c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.64
NUDT1 P36639 1/20 0.53
ADORA2A P29274 1/20 0.48

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
SCHEMBL14944703 0.80 TLR7 (0.65) TLR7NUDT1
SCHEMBL16206181 0.78 TLR7 (1.00) TLR7NUDT1ADORA2A
SCHEMBL16206180 0.78 TLR7 (0.67) TLR7NUDT1
SCHEMBL14944691 0.77 TLR7 (0.63) TLR7NUDT1
SCHEMBL14944695 0.77 TLR7 (0.66) TLR7NUDT1
SCHEMBL14944740 0.76 TLR7 (0.68) TLR7NUDT1ADORA2A
SCHEMBL14944697 0.76 TLR7 (0.65) TLR7NUDT1
SCHEMBL14944698 0.75 TLR7 (0.61) TLR7NUDT1
SCHEMBL14944694 0.75 TLR7 (0.63) TLR7NUDT1
SCHEMBL18207658 0.75 TLR7 (0.74) 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