SCHEMBL14944728

SCHEMBL14944728

CNCCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nc(C5CC5)c[nH]4)nc32)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.61
IL6 P05231 11/20 0.49

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
SCHEMBL16206185 0.89 TLR7 (0.61) TLR7IL6
SCHEMBL16206182 0.85 TLR7 (0.54) TLR7IL6
SCHEMBL14944577 0.80 TLR7 (0.55) TLR7
SCHEMBL21581165 0.79 TLR7 (0.48) TLR7IL6
SCHEMBL14944656 0.77 TLR7 (0.53) TLR7
SCHEMBL14944679 0.73 TLR7 (0.38) TLR7
SCHEMBL19423865 0.73 TLR7 (0.51) TLR7IL6
SCHEMBL14944753 0.72 USP1 (0.39) TLR7
SCHEMBL16206186 0.71 TLR7 (0.49) TLR7IL6
SCHEMBL14944718 0.71 TLR7 (0.51) TLR7IL6

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