SCHEMBL24258659

SCHEMBL24258659

COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O[P@](=O)(S)OC[C@H]1C[C@@H](n2cnc3c(=O)n4cnnc4[nH]c32)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ P2RY1 P47900 2/20 0.39
▸ DTYMK P23919 2/20 0.37
▸ RNASEL Q05823 1/20 0.37
▸ DNPH1 O43598 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ TRPM2 O94759 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL24680973 0.87 POLB (0.49) ENPP1POLBP2RY1RNASELDNPH1
SCHEMBL24444130 0.84 POLB (0.41) ENPP1POLBP2RY1DTYMKDNPH1
SCHEMBL24322613 0.80 POLB (0.40) ENPP1POLBP2RY1DTYMK
SCHEMBL24258653 0.79 NT5E (0.37) P2RY1RNASELDNPH1PRKAB2TRPM2
SCHEMBL24258651 0.79 RNASEL (0.45) RNASEL
SCHEMBL22349189 0.78 POLB (0.51) ENPP1POLBP2RY1DNPH1PRKAB2
SCHEMBL24258666 0.76 POLB (0.37) ENPP1POLBP2RY1DTYMKRNASEL
SCHEMBL22268149 0.76 POLB (0.49) ENPP1POLBP2RY1P2RY2
SCHEMBL21299334 0.76 POLB (0.50) ENPP1POLBP2RY1DNPH1PRKAB2
SCHEMBL22268138 0.75 POLB (0.50) ENPP1POLBP2RY1P2RY2

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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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