SCHEMBL4879324

SCHEMBL4879324

Cc1nc(N)c2nc(CC3CC3)n(CCCS(=O)(=O)Nc3ccc(Cl)cc3Cl)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.35
TLR8 Q9NR97 3/20 0.35
HSP90B1 P14625 2/20 0.31
BACE1 P56817 1/20 0.31
FPR2 P25090 4/20 0.31
PROKR1 Q8TCW9 4/20 0.31
CCR4 P51679 1/20 0.31
KCNH2 Q12809 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL4791912 0.98 TLR7 (0.35) TLR7TLR8HSP90B1BACE1FPR2
SCHEMBL4876728 0.89 TLR7 (0.40) TLR7TLR8HSP90B1SLC40A1
SCHEMBL4883115 0.87 TLR7 (0.38) TLR7TLR8
SCHEMBL4868653 0.87 TLR7 (0.43) TLR7TLR8
SCHEMBL4792202 0.86 HSP90B1 (0.36) TLR7TLR8HSP90B1FPR2PROKR1
SCHEMBL4873557 0.84 TLR7 (0.43) TLR7TLR8
SCHEMBL4870522 0.84 TLR7 (0.42) TLR7TLR8
SCHEMBL5335462 0.83 HSP90B1 (0.35) TLR7TLR8HSP90B1FPR2PROKR1
SCHEMBL4876740 0.83 TLR7 (0.36) TLR7TLR8
SCHEMBL4793402 0.83 HSP90B1 (0.35) TLR7TLR8HSP90B1FPR2PROKR1

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