SCHEMBL19633360

SCHEMBL19633360

COCCOc1nc(N)c2nc(Br)n(CCC(=O)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.48
NUDT1 P36639 1/20 0.41
ADORA2A P29274 5/20 0.38
ADORA2B P29275 5/20 0.38
ADORA1 P30542 5/20 0.38
KMO O15229 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TMIGD3 P0DMS9 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
SCHEMBL19633466 0.93 TLR7 (0.47) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL19633361 0.87 TLR7 (0.49) TLR7NUDT1KMO
SCHEMBL19633306 0.81 TLR7 (0.47) TLR7NUDT1
SCHEMBL3930476 0.79 TLR7 (0.44) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL19633363 0.78 TLR7 (0.44) TLR7NUDT1
SCHEMBL19633585 0.78 TLR7 (0.47) TLR7NUDT1
SCHEMBL4102681 0.78 TLR7 (0.43) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL509587 0.77 TLR7 (0.74) TLR7NUDT1ADORA2AADORA1
SCHEMBL4102688 0.77 TLR7 (0.41) TLR7NUDT1ADORA2AADORA2BADORA1
SCHEMBL3930482 0.77 TLR7 (0.42) TLR7NUDT1ADORA2AADORA2BADORA1

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