SCHEMBL13645797

SCHEMBL13645797

C=Cc1ccc2c(c1)nc(N)c1nc(COCC)n(CC(C)C)c12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.74
TLR8 Q9NR97 13/20 0.53
NUDT1 P36639 1/20 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
SCHEMBL3862484 0.87 TLR7 (0.64) TLR7TLR8
SCHEMBL1486429 0.86 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL3865770 0.85 TLR7 (0.78) TLR7TLR8NUDT1
SCHEMBL22558521 0.85 TLR7 (1.00) TLR7TLR8NUDT1
SCHEMBL4535615 0.85 TLR7 (0.75) TLR7TLR8NUDT1
SCHEMBL3861903 0.85 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL3871208 0.84 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL3871201 0.84 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL13645717 0.84 TLR8 (0.53) TLR7TLR8NUDT1
SCHEMBL3867963 0.82 TLR7 (0.74) TLR7TLR8NUDT1

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
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed