SCHEMBL7208649

SCHEMBL7208649

Nc1nc2ccccc2c2c1ncn2CCOCc1cn(CSc2ccccc2)nn1.Nc1nc2ccccc2c2c1ncn2CCOCc1cnnn1CSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
NUDT1 P36639 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
NCF1 P14598 9/20 0.38
ALOX5 P09917 2/20 0.37
TLR8 Q9NR97 2/20 0.34
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
QPCTL Q9NXS2 1/20 0.31

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
SCHEMBL6700811 0.92 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6700965 0.92 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL7205066 0.85 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6702028 0.79 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6697494 0.79 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL6699305 0.79 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL6704112 0.79 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6699123 0.73 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5360305 0.71 TLR7 (0.60) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4330880 0.70 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D

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
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed