SCHEMBL23760882

SCHEMBL23760882

C#C[C@H]1C[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N(C)C3CC3)nc(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.45
▸ ENPP1 P22413 2/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ P2RY12 Q9H244 2/20 0.43
▸ P2RX1 P51575 3/20 0.42
▸ P2RX3 P56373 3/20 0.42
▸ P2RX4 Q99571 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42
▸ RNASEL Q05823 3/20 0.42
▸ GPR17 Q13304 2/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40

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
SCHEMBL23760747 0.99 NT5E (0.44) NT5EENPP1P2RY1P2RY12P2RX1
SCHEMBL23760923 0.94 NT5E (0.47) NT5EP2RY1P2RY11RNASEL
SCHEMBL23760903 0.89 NT5E (0.47) NT5EENPP1P2RY1P2RY12P2RX1
SCHEMBL24081826 0.88 NT5E (0.48) NT5EENPP1P2RY1P2RY12P2RX1
SCHEMBL23760748 0.86 POLB (0.39) NT5EENPP1P2RY1P2RY12P2RX1
SCHEMBL23760891 0.86 CA5A (0.42) NT5EP2RY1P2RX3P2RY11RNASEL
SCHEMBL23760890 0.86 CA5A (0.42) NT5EP2RY1P2RX3P2RY11RNASEL
SCHEMBL23761055 0.85 CYP2C19 (0.39) NT5E
SCHEMBL23760876 0.84 POLB (0.53) NT5EGPR17
SCHEMBL21137138 0.82 NT5E (0.65) NT5EENPP1P2RY1P2RY12P2RX1

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
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