SCHEMBL6671650

SCHEMBL6671650

CC1OC(n2cnc3c(N)nc(F)nc32)C(O)C1O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.74
NT5E P21589 2/20 0.71
LMNA P02545 1/20 0.71
HIF1A Q16665 1/20 0.71
ADORA2A P29274 3/20 0.64
ADORA2B P29275 3/20 0.64
ADORA1 P30542 1/20 0.64
CA5A P35218 1/20 0.61
AHCY P23526 4/20 0.58
DNMT1 P26358 1/20 0.55
DNMT3B Q9UBC3 1/20 0.55

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
SCHEMBL8508817 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL10061853 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL2406005 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843949 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL2406009 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL23884966 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL10015793 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
Phosphoric Acid SCHEMBL18490660 0.94 ADORA3 (0.67) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843948 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL4452559 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947408-B1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2023-06-07 EP disclosed
EP-4043471-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS Nucana PLC (GB) 2022-08-17 EP disclosed
EP-3720864-B1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2022-01-05 EP disclosed
WO-2020201751-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2020-10-08 WO disclosed
WO-2019110991-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2019-06-13 WO disclosed
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed