SCHEMBL1079347

SCHEMBL1079347

CCCCCc1ccc2c(n1)c(N)nc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.59
TLR7 Q9NYK1 10/20 0.59
DHFR P00374 2/20 0.50

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
SCHEMBL1009385 0.83 TLR7 (0.54) TLR8TLR7
SCHEMBL1008810 0.77 TLR7 (0.46) TLR8TLR7DHFR
SCHEMBL1008581 0.77 TLR7 (0.52) TLR8TLR7
SCHEMBL1703456 0.77 TLR7 (0.57) TLR8TLR7
SCHEMBL1061481 0.76 TLR8 (0.65) TLR8TLR7
SCHEMBL1061503 0.76 TLR8 (0.55) TLR8TLR7
SCHEMBL16836321 0.76 TLR8 (0.74) TLR8TLR7
SCHEMBL1063827 0.76 TLR8 (0.54) TLR8TLR7
SCHEMBL1675437 0.75 TLR8 (0.53) TLR8TLR7
SCHEMBL1008843 0.75 TLR8 (0.53) TLR8TLR7

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-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed