SCHEMBL13645622

SCHEMBL13645622

CCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.45
TLR8 Q9NR97 1/20 0.41
DHFR P00374 1/20 0.40
NLRP3 Q96P20 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PIM1 P11309 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL3862202 0.99 TLR7 (0.45) TLR7TLR8DHFRNLRP3CYP1A2
SCHEMBL6246979 0.93 TLR7 (0.51) TLR7TLR8DHFR
Hydrochloric Acid SCHEMBL3864091 0.93 TLR7 (0.50) TLR7TLR8DHFR
SCHEMBL13645732 0.91 TLR7 (0.53) TLR7TLR8DHFR
Hydrochloric Acid SCHEMBL3865532 0.90 TLR7 (0.52) TLR7TLR8DHFR
SCHEMBL3864353 0.86 TLR7 (0.44) TLR7TLR8DHFRNLRP3
SCHEMBL3872266 0.82 KDM1A (0.46) TLR7TLR8NLRP3
SCHEMBL3867682 0.81 TLR7 (0.61) TLR7TLR8
SCHEMBL1753995 0.81 TLR7 (0.52) TLR7TLR8
Hydrochloric Acid SCHEMBL3861993 0.80 TLR7 (0.60) TLR7TLR8

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