SCHEMBL24081936

SCHEMBL24081936

CN(c1nc(N)nc2c1ncn2CC1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]1F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.40
▸ P2RX1 P51575 4/20 0.38
▸ P2RX3 P56373 4/20 0.38
▸ P2RX4 Q99571 3/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ P2RY1 P47900 2/20 0.38
▸ P2RY6 Q15077 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ P2RY12 Q9H244 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.36
▸ RNASEL Q05823 2/20 0.36
▸ POLG P54098 1/20 0.36
▸ GPR17 Q13304 1/20 0.35
▸ PNP P00491 1/20 0.34

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
SCHEMBL23761030 0.92 RNASEL (0.40) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL23760748 0.89 POLB (0.39) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL24081826 0.85 NT5E (0.48) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL23760903 0.80 NT5E (0.47) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL23760893 0.79 ENPP1 (0.32) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL21136126 0.79 NT5E (0.64) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL21136888 0.79 NT5E (0.64) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL21136499 0.79 NT5E (0.55) NT5EP2RX1P2RX3P2RX4ENPP1
SCHEMBL23760912 0.79 NT5E (0.50) NT5EP2RY1P2RY11RNASEL
SCHEMBL20058653 0.78 P2RY1 (0.47) NT5EP2RX1P2RX3P2RX4ENPP1

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
EP-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 — — EP disclosed
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