SCHEMBL4134005

SCHEMBL4134005

CCP(=O)(O)c1ccc(Cn2c(O)nc3c(N)nc(OCCOC)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.54
NUDT1 P36639 1/20 0.47

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
SCHEMBL3933268 0.91 TLR7 (0.57) TLR7NUDT1
SCHEMBL4089741 0.89 TLR7 (0.52) TLR7NUDT1
SCHEMBL161256 0.87 TLR7 (0.57) TLR7NUDT1
SCHEMBL17154074 0.87 TLR7 (0.61) TLR7NUDT1
SCHEMBL30895535 0.85 TLR7 (0.61) TLR7NUDT1
SCHEMBL16481697 0.85 TLR7 (0.61) TLR7NUDT1
SCHEMBL17154076 0.85 TLR7 (0.61) TLR7NUDT1
SCHEMBL7210390 0.84 TLR7 (0.60) TLR7NUDT1
SCHEMBL43700 0.84 TLR7 (0.74) TLR7NUDT1
SCHEMBL29386203 0.84 TLR7 (0.74) TLR7NUDT1

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-2038290-B1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2013-09-04 EP disclosed
EP-2038290-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 Gilead Sciences, Inc. (US) 2009-03-25 EP disclosed
WO-2008005555-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2008-01-10 WO disclosed