SCHEMBL13645812

SCHEMBL13645812

C=Cc1ccc2c(c1)nc(N)c1nc(COCC)n(CCNC(=O)NC(C)C)c12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.50
TLR8 Q9NR97 15/20 0.48
NUDT1 P36639 1/20 0.43

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
SCHEMBL3867926 0.91 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL13645775 0.87 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL1616868 0.86 TLR8 (0.61) TLR7TLR8NUDT1
SCHEMBL3865895 0.83 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL3862230 0.83 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL13645797 0.81 TLR7 (0.74) TLR7TLR8NUDT1
SCHEMBL6105492 0.80 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL3871213 0.79 TLR7 (0.56) TLR7TLR8
SCHEMBL13645717 0.79 TLR8 (0.53) TLR7TLR8NUDT1
SCHEMBL3861957 0.78 TLR7 (0.58) 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