SCHEMBL18947540

SCHEMBL18947540

C[C@@H]1[C@H](n2cnc3c(O)ccnc32)O[C@](F)(CO)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.35
▸ ADORA2B P29275 4/20 0.35
▸ AHCY P23526 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL18947552 0.88 ADORA2A (0.48) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL18947539 0.86 ADORA2A (0.36) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL18947538 0.85 ADORA2A (0.38) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL15203793 0.83 PI4KA (0.42) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL12170655 0.83 PI4KA (0.42) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL18947535 0.81 ADORA2A (0.35) ADORA2AADORA2BAHCY
SCHEMBL18947542 0.81 ADORA2A (0.36) ADORA2AADORA2BAHCY
SCHEMBL18947533 0.81 ADORA2A (0.36) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL15203798 0.80 ADORA3 (0.54) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL18947551 0.79 LMNA (0.34) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

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
US-9676808-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2017-06-13 — — US disclosed
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