SCHEMBL4870128

SCHEMBL4870128

Cc1nc(N)c2nc(C)n(CCCCS(=O)(=O)Nc3ccccc3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
TLR8 Q9NR97 1/20 0.33
SGK1 O00141 1/20 0.33
AR P10275 1/20 0.33
FAAH O00519 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HRH4 Q9H3N8 3/20 0.32
KDM1A O60341 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BRD4 O60885 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
SCHEMBL4878182 0.97 TLR7 (0.38) TLR7TLR8SGK1ARFAAH
SCHEMBL4867490 0.86 TLR7 (0.50) TLR7TLR8ARHRH4
SCHEMBL4881712 0.84 TLR7 (0.34) TLR7AR
SCHEMBL4879922 0.84 TLR8 (0.44) TLR7TLR8AR
SCHEMBL4881714 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL4792665 0.84 TLR7 (0.40) TLR7TLR8CYP3A4TSHR
SCHEMBL4793073 0.83 TLR7 (0.39) TLR7TLR8FAAHCYP3A4
SCHEMBL4870184 0.81 TLR7 (0.35) TLR7SGK1ARCYP3A4MAPK1
SCHEMBL4791595 0.81 CSNK2A1 (0.37) TLR7
SCHEMBL6721688 0.81 CSNK2A1 (0.37) TLR7

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