SCHEMBL13613828

SCHEMBL13613828

CC(C)(C)NC(=O)NCCOCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.55
LMNA P02545 2/20 0.49
NUDT1 P36639 2/20 0.49
POLB P06746 2/20 0.49
HRH2 P25021 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
ADORA2A P29274 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
TLR8 Q9NR97 7/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4335984 0.88 TLR7 (0.54) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613829 0.88 TLR7 (0.48) TLR7LMNANUDT1POLBHRH2
SCHEMBL14592749 0.88 TLR7 (0.58) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613838 0.85 TLR7 (0.46) TLR7LMNANUDT1POLBHRH2
SCHEMBL18588039 0.84 TLR7 (0.52) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613830 0.83 TLR7 (0.44) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613832 0.82 CASR (0.45) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613833 0.82 TLR7 (0.44) TLR7LMNANUDT1POLBHRH2
SCHEMBL14505294 0.82 TLR7 (0.44) TLR7LMNANUDT1POLBHRH2
SCHEMBL13613835 0.81 KMT2A (0.46) TLR7LMNANUDT1POLBHRH2

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