SCHEMBL24680688

SCHEMBL24680688

COP(O)(=S)OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H](F)[C@@H]1OP(O)(=S)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.42
▸ ENPP1 P22413 3/20 0.41
▸ P2RY11 Q96G91 2/20 0.41
▸ FHIT P49789 3/20 0.40
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL20691358 0.95 NT5E (0.44) NT5EENPP1P2RY11FHITDNPH1
SCHEMBL20691333 0.92 NT5E (0.43) NT5EENPP1P2RY11SRCP2RY2
SCHEMBL24679777 0.79 RNASEL (0.57) NT5EP2RY1RNASEL
SCHEMBL20691954 0.76 NT5E (0.51) NT5EP2RY11FHITDNPH1PRKAB2
SCHEMBL20691405 0.72 DTYMK (0.41) ENPP1P2RY11P2RY1RNASEL
SCHEMBL14002392 0.72 RNASEL (0.63) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL13996831 0.72 RNASEL (0.63) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL24681005 0.71 ADCY5 (0.55) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL21263838 0.71 ADCY5 (0.43) NT5EENPP1P2RY11FHITDNPH1
SCHEMBL26757820 0.71 NT5E (0.58) NT5EP2RY11DNPH1PRKAB2TRPM2

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-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
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