SCHEMBL4793191

SCHEMBL4793191

Cc1nc(N)c2nc(C)n(CCOCc3ccccc3)c2c1C.Cc1nc(Oc2ccccc2)c2nc(C)n(CCOCc3ccccc3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.40
TLR8 Q9NR97 3/20 0.38
ALDH1A1 P00352 1/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
RPS6KA5 O75582 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
MCL1 Q07820 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL4791598 0.94 ALDH1A1 (0.37) TLR7ALDH1A1MCL1MAOAMAOB
SCHEMBL4867497 0.91 TLR7 (0.47) TLR7TLR8ALDH1A1ATP4AATP4B
SCHEMBL4793345 0.88 TLR7 (0.47) TLR7TLR8
SCHEMBL4794543 0.81 TLR8 (0.45) TLR7TLR8MCL1
SCHEMBL4795552 0.81 TLR7 (0.42) TLR7TLR8ALDH1A1MCL1MAOA
SCHEMBL4792168 0.81 TLR7 (0.36) TLR7TLR8ATP4AATP4B
SCHEMBL4792812 0.80 ALDH1A1 (0.52) TLR7ALDH1A1CDK9DYRK1ADYRK2
SCHEMBL4792178 0.79 TLR7 (0.45) TLR7TLR8ADORA2AADORA1
SCHEMBL4794665 0.78 TLR8 (0.59) TLR7TLR8
SCHEMBL4790622 0.78 TLR7 (0.54) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed