SCHEMBL4870184

SCHEMBL4870184

Cc1cnc(N)c2nc(C)n(CCCS(=O)(=O)Nc3ccccc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
AR P10275 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH4 Q9H3N8 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BRAF P15056 1/20 0.33
ATR Q13535 1/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SRC P12931 2/20 0.32
GLO1 Q04760 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL4875240 0.86 TLR7 (0.46) TLR7
SCHEMBL4878182 0.84 TLR7 (0.38) TLR7ARHRH3HRH4BRD4
SCHEMBL4792426 0.84 TLR7 (0.37) TLR7KDM4EALDH1A1GAAMAPT
SCHEMBL4882511 0.84 TLR7 (0.48) TLR7
SCHEMBL4874946 0.82 TLR8 (0.42) TLR7AR
SCHEMBL4791420 0.82 CSNK2A1 (0.36) TLR7CA1CA2CA9
SCHEMBL4870128 0.81 TLR7 (0.39) TLR7ARHRH3HRH4BRD4
SCHEMBL4792867 0.81 TLR7 (0.37) TLR7KDM4EALDH1A1MAPTATR
SCHEMBL4794792 0.80 TLR7 (0.36) TLR7KDM4EALDH1A1MAPTATR
SCHEMBL4790534 0.79 CSNK2A1 (0.35) TLR7CA1CA2CA9

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