SCHEMBL23042945

SCHEMBL23042945

Nc1ncnn2c([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)cnc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 9/20 0.54
▸ ENPP1 P22413 5/20 0.54
▸ PLCG1 P19174 1/20 0.54
▸ P2RX1 P51575 2/20 0.47
▸ P2RX3 P56373 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ P2RY11 Q96G91 1/20 0.45

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
SCHEMBL23042806 0.85 NT5E (0.52) NT5EENPP1PLCG1P2RX1P2RX3
SCHEMBL22579660 0.84 NT5E (0.56) NT5EENPP1PLCG1
SCHEMBL23052587 0.84 NT5E (0.49) NT5EENPP1PLCG1P2RX1P2RX3
SCHEMBL22579618 0.83 NT5E (0.43) NT5EENPP1PLCG1
SCHEMBL23042874 0.83 NT5E (0.52) NT5EENPP1PLCG1P2RX1P2RX3
SCHEMBL22579749 0.82 NT5E (0.61) NT5EP2RX3
SCHEMBL22579752 0.82 NT5E (0.55) NT5EENPP1PLCG1
SCHEMBL25495988 0.79 HIF1A (0.48) ALDH1A1
SCHEMBL18490279 0.79 HIF1A (0.48) ALDH1A1
SCHEMBL19859909 0.79 HIF1A (0.48) ALDH1A1

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
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO claimed
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO disclosed
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