SCHEMBL13645732

SCHEMBL13645732

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.53
TLR8 Q9NR97 11/20 0.45
NUDT1 P36639 1/20 0.43
DHFR P00374 1/20 0.41

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
Hydrochloric Acid SCHEMBL3865532 0.99 TLR7 (0.52) TLR7TLR8NUDT1DHFR
SCHEMBL3867682 0.91 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL13645622 0.91 TLR7 (0.45) TLR7TLR8DHFR
Hydrochloric Acid SCHEMBL3861993 0.90 TLR7 (0.60) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL3862202 0.90 TLR7 (0.45) TLR7TLR8DHFR
SCHEMBL6246979 0.90 TLR7 (0.51) TLR7TLR8DHFR
Hydrochloric Acid SCHEMBL3864091 0.89 TLR7 (0.50) TLR7TLR8DHFR
SCHEMBL21315513 0.88 TLR7 (0.50) TLR7TLR8NUDT1DHFR
SCHEMBL13645793 0.88 TLR7 (0.47) TLR7TLR8NUDT1DHFR
SCHEMBL893197 0.87 TLR7 (0.49) TLR7TLR8NUDT1DHFR

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