SCHEMBL13645793

SCHEMBL13645793

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.47
TLR8 Q9NR97 12/20 0.44
NUDT1 P36639 1/20 0.42
DHFR P00374 1/20 0.40
DRD2 P14416 1/20 0.38
NLRP3 Q96P20 1/20 0.38

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 SCHEMBL3861996 0.99 TLR7 (0.47) TLR7TLR8NUDT1DHFRDRD2
SCHEMBL13645732 0.88 TLR7 (0.53) TLR7TLR8NUDT1DHFR
Hydrochloric Acid SCHEMBL3865532 0.87 TLR7 (0.52) TLR7TLR8NUDT1DHFR
SCHEMBL3862607 0.84 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL3865822 0.83 TLR7 (0.51) TLR7TLR8NUDT1DHFR
SCHEMBL3862193 0.82 TLR7 (0.44) TLR7TLR8NUDT1DHFRNLRP3
SCHEMBL3861997 0.82 TLR8 (0.57) TLR7TLR8NUDT1DHFR
SCHEMBL21315513 0.82 TLR7 (0.50) TLR7TLR8NUDT1DHFR
SCHEMBL3862035 0.81 TLR8 (0.47) TLR7TLR8NUDT1DHFRNLRP3
SCHEMBL30773470 0.81 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