SCHEMBL13613827

SCHEMBL13613827

CCC(COCCC1CCN(C(=S)Nc2ccccc2)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
TLR7 Q9NYK1 4/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
NUDT1 P36639 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPY2R P49146 5/20 0.36
MEN1 O00255 2/20 0.36
ALOX12 P18054 1/20 0.36
TLR8 Q9NR97 2/20 0.34
CDK1 P06493 2/20 0.34
IGF1R P08069 2/20 0.34

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
SCHEMBL13613812 0.91 FAAH (0.42) KMT2ATLR7KDM4ELMNAPOLB
SCHEMBL13613810 0.85 TLR7 (0.39) KMT2ATLR7LMNAPOLBHRH2
SCHEMBL13613826 0.85 ALDH1A1 (0.39) KMT2ATLR7LMNAPOLBHRH2
SCHEMBL13613820 0.85 LMNA (0.42) KMT2ATLR7LMNAPOLBMEN1
SCHEMBL14533341 0.84 TLR7 (0.34) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4338051 0.84 TLR7 (0.40) TLR7KDM4ELMNAPOLBHRH2
SCHEMBL13613817 0.84 CCR3 (0.44) PDGFRB
SCHEMBL13613813 0.84 TLR7 (0.38) TLR7KDM4ELMNAPOLBHRH2
SCHEMBL13613822 0.83 CCR2 (0.40) TLR7KDM4ELMNAMAPT
SCHEMBL13613815 0.83 LCK (0.36) TLR7KDM4ELMNAPOLBHRH2

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