SCHEMBL30262594

SCHEMBL30262594

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@@H](O)[C@H]1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.75
▸ CD99 P14209 1/20 0.75
▸ P2RY1 P47900 4/20 0.60
▸ ADORA1 P30542 3/20 0.60
▸ P2RY2 P41231 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ SRC P12931 2/20 0.60
▸ DNPH1 O43598 1/20 0.60
▸ PRKAB2 O43741 1/20 0.60
▸ TRPM2 O94759 1/20 0.60
▸ LDHA P00338 1/20 0.60
▸ ADRB2 P07550 1/20 0.60
▸ FBP1 P09467 1/20 0.60
▸ PRKAG1 P54619 1/20 0.60
▸ PRKAA2 P54646 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ PRKAA1 Q13131 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ TAS1R3 Q7RTX0 1/20 0.60

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
SCHEMBL24026262 1.00 NT5E (0.75) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL19949177 1.00 NT5E (0.75) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL17202812 0.92 NT5E (0.72) NT5EP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL17202808 0.92 NT5E (0.72) NT5EP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL19959560 0.89 NT5E (0.62) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL19961899 0.87 NT5E (0.60) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL30262610 0.86 NT5E (1.00) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL19949159 0.86 NT5E (1.00) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL14010554 0.85 NT5E (0.65) NT5EADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL21999782 0.84 NT5E (0.69) NT5EP2RY1ADORA1P2RY2SMN1; SMN2

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
CN-110234656-B Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2023-02-28 — — CN disclosed
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