SCHEMBL13613832

SCHEMBL13613832

COc1cccc(NC(=O)NCCOCCn2cnc3c(N)nc4ccccc4c32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.45
KMT2A Q03164 1/20 0.44
TLR7 Q9NYK1 3/20 0.44
HTR2A P28223 3/20 0.43
CCR3 P51677 2/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
ADORA2A P29274 2/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 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
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHKA P35790 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
SCHEMBL13613829 0.90 TLR7 (0.48) TLR7HTR2APOLBLMNAADORA2A
SCHEMBL13613835 0.88 KMT2A (0.46) KMT2ATLR7HTR2APOLBLMNA
SCHEMBL13613831 0.87 CCR3 (0.43) KMT2ATLR7HTR2ACCR3POLB
SCHEMBL13613828 0.82 TLR7 (0.55) KMT2ATLR7HTR2APOLBLMNA
SCHEMBL13613800 0.82 TLR7 (0.59) TLR7
SCHEMBL14592712 0.81 TLR7 (0.47) CASRKMT2ATLR7HTR2APOLB
SCHEMBL14627028 0.79 TLR7 (0.46) KMT2ATLR7HTR2ACCR3POLB
SCHEMBL13613838 0.78 TLR7 (0.46) TLR7HTR2APOLBLMNAADORA2A
SCHEMBL14592796 0.78 TLR7 (0.51) TLR7HTR2APOLBLMNAADORA2A
SCHEMBL4335984 0.78 TLR7 (0.54) TLR7HTR2APOLBLMNAADORA2A

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