SCHEMBL25565235

SCHEMBL25565235

Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](F)[C@@](F)(COP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.48
▸ P2RY1 P47900 8/20 0.47
▸ P2RY2 P41231 3/20 0.47
▸ NT5E P21589 2/20 0.44
▸ P2RY11 Q96G91 2/20 0.43
▸ AHCY P23526 3/20 0.43
▸ ENPP1 P22413 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ P2RX1 P51575 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41

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
SCHEMBL25565236 0.99 P2RY1 (0.48) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL25565234 0.93 CA5A (0.53) CA5AP2RY1NT5EAHCY
SCHEMBL25556577 0.88 P2RY1 (0.56) P2RY1P2RY2P2RY11ENPP1P2RX1
SCHEMBL25556583 0.87 P2RY1 (0.58) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL26289790 0.84 P2RY1 (0.50) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL26289786 0.82 CA5A (0.47) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL31652871 0.82 P2RY1 (0.48) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL19211131 0.81 P2RY1 (0.48) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL30590475 0.81 P2RY1 (0.48) CA5AP2RY1P2RY2NT5EP2RY11
SCHEMBL25556636 0.81 CA5A (0.40) CA5ANT5EAHCY

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-2023086557-A1 NUCLEOSIDES FOR THE TREATMENT OF DNA VIRUS INFECTIONS EMORY UNIVERSITY (US) 2023-05-19 — — WO disclosed
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