SCHEMBL23760829

SCHEMBL23760829

CNc1nc(N)nc2c1ncn2C1OC(CO)[C@@H](O)[C@H]1F

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.82
ADORA1 P30542 6/20 0.82
PGK1 P00558 1/20 0.64
PGK2 P07205 1/20 0.64
PDE2A O00408 1/20 0.63
ADORA2A P29274 1/20 0.63
ADRA1A P35348 1/20 0.63
PDE4D Q08499 1/20 0.63
PDE3A Q14432 1/20 0.63
CYP2C19 P33261 1/20 0.59
ADORA2B P29275 1/20 0.58
SLC29A1 Q99808 4/20 0.58
NT5E P21589 1/20 0.56

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
SCHEMBL30303132 1.00 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2PDE2A
SCHEMBL20724628 1.00 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2PDE2A
SCHEMBL8971384 1.00 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2PDE2A
SCHEMBL8971423 1.00 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2PDE2A
SCHEMBL6758941 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL4803033 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL14853634 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL14928752 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL18464461 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL5879766 0.90 ADORA3 (1.00) ADORA3ADORA1PGK1PGK2ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 EP disclosed
EP-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed