SCHEMBL13613830

SCHEMBL13613830

Nc1nc2ccccc2c2c1ncn2CCOCCNC(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX1 P07099 6/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 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
SCHEMBL5750294 0.89 EPHX1 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14505294 0.85 TLR7 (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13613833 0.85 TLR7 (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13613829 0.84 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5400928 0.84 TLR7 (0.46) TLR7EPHX1NPC1TP53TSHR
SCHEMBL13613828 0.83 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5396341 0.83 TLR8 (0.51) TLR7NUDT1L3MBTL1
SCHEMBL13613838 0.81 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5394078 0.81 TLR8 (0.62) TLR7NUDT1L3MBTL1
SCHEMBL29507644 0.81 TLR8 (0.62) TLR7NUDT1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed