SCHEMBL23760912

SCHEMBL23760912

CN(c1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)C[C@@H]1F)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.50
▸ CA5A P35218 1/20 0.43
▸ DNPH1 O43598 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TAS1R3 Q7RTX0 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
SCHEMBL24081826 0.94 NT5E (0.48) NT5EP2RY1P2RY11RNASEL
SCHEMBL23760841 0.91 NT5E (0.49) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL23760923 0.88 NT5E (0.47) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL23760905 0.85 NT5E (0.46) NT5ECA5AP2RY1
SCHEMBL21137137 0.85 NT5E (0.68) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL21136500 0.85 NT5E (0.68) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL23760903 0.84 NT5E (0.47) NT5EP2RY1P2RY11RNASEL
SCHEMBL24081994 0.83 NT5E (0.43) NT5ECA5AP2RY1
SCHEMBL23760882 0.82 NT5E (0.45) NT5EP2RY1P2RY11RNASEL
SCHEMBL23760747 0.81 NT5E (0.44) NT5EP2RY1P2RY11RNASELIMPDH2

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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