SCHEMBL19633306

SCHEMBL19633306

COCCOc1nc(N)c2nc(O)n(CCCC(=O)O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.47
NUDT1 P36639 1/20 0.41
PNP P00491 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL19633361 0.93 TLR7 (0.49) TLR7NUDT1
SCHEMBL19633365 0.88 TLR7 (0.45) TLR7NUDT1
SCHEMBL19633466 0.88 TLR7 (0.47) TLR7NUDT1PNP
SCHEMBL3920579 0.84 TLR7 (0.45) TLR7NUDT1
SCHEMBL19633585 0.83 TLR7 (0.47) TLR7NUDT1
SCHEMBL3995288 0.82 TLR7 (0.47) TLR7NUDT1
SCHEMBL19633360 0.81 TLR7 (0.48) TLR7NUDT1
SCHEMBL23638053 0.81 TLR7 (0.53) TLR7NUDT1
SCHEMBL23331426 0.81 TLR7 (0.52) TLR7NUDT1
SCHEMBL19633387 0.81 TLR7 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017197624-A1 PURINE-SCAFFOLD TLR7 LIGANDS AND CONJUGATE THEREOF SHENZHEN HORNETCORN BIOTECHNOLOGY COMPANY,CO., LTD (CN) 2017-11-23 WO disclosed