SCHEMBL13645600

SCHEMBL13645600

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.56
TLR8 Q9NR97 11/20 0.56
NUDT1 P36639 1/20 0.45
STING1 Q86WV6 1/20 0.45
NLRP3 Q96P20 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
SCHEMBL13645589 0.91 TLR7 (0.52) TLR7TLR8STING1
SCHEMBL3863711 0.90 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL483393 0.89 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL30345892 0.89 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL483008 0.89 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL31006045 0.89 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL6105201 0.88 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6105492 0.87 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6104268 0.85 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL31337596 0.85 TLR7 (0.59) 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