SCHEMBL29398012

SCHEMBL29398012

O[C@@]1(c2cnc3c(N[C@H]4CCc5ccccc54)nc(Cl)nn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.38
▸ P2RX7 Q99572 3/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ NAE1 Q13564 5/20 0.32
▸ UBA3 Q8TBC4 4/20 0.32
▸ UBA6 A0AVT1 2/20 0.32
▸ SAE1 Q9UBE0 2/20 0.32
▸ ATG7 O95352 1/20 0.32
▸ UBA7 P41226 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ GRK5 P34947 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ NEDD8 Q15843 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL22579634 1.00 NT5E (0.38) NT5EP2RX7PDE2ANAE1UBA3
SCHEMBL22569901 0.87 PDE2A (0.35) NT5EPDE2ABCHE
SCHEMBL24557992 0.83 PDE2A (0.38) NT5EP2RX7PDE2ANAE1UBA3
SCHEMBL22569914 0.81 PDE2A (0.37) NT5EPDE2ABCHE
SCHEMBL24557960 0.79 PDE2A (0.36) PDE2ABCHE
SCHEMBL22569910 0.77 NT5E (0.35) NT5EPDE2ABCHE
SCHEMBL24941081 0.75 ERN1 (0.34) NT5EPDE2ABCHE
SCHEMBL30323271 0.75 BCHE (0.34) NT5EPDE2ABCHE
SCHEMBL22579740 0.72 PDE2A (0.37) PDE2ABCHE
SCHEMBL13648927 0.71 PDE2A (0.34) PDE2ABCHE

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-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 — — EP disclosed
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