SCHEMBL14944724

SCHEMBL14944724

Nc1nc(-c2cc(C3CC3)nn2N)nc2c1[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.53
NUDT1 P36639 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
SCHEMBL14944709 0.82 TLR7 (0.54) TLR7NUDT1
SCHEMBL14944577 0.80 TLR7 (0.55) TLR7NUDT1
SCHEMBL14944656 0.77 TLR7 (0.53) TLR7NUDT1
SCHEMBL14944654 0.76 TLR7 (0.60) TLR7NUDT1
SCHEMBL2568873 0.75 TLR7 (0.67) TLR7NUDT1
SCHEMBL14944657 0.74 TLR7 (0.55) TLR7NUDT1
SCHEMBL18431183 0.73 TLR7 (0.62) TLR7NUDT1
SCHEMBL14944726 0.72 TLR7 (0.64) TLR7NUDT1
SCHEMBL14944694 0.72 TLR7 (0.63) TLR7NUDT1
SCHEMBL14944691 0.72 TLR7 (0.63) 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