SCHEMBL24679775

SCHEMBL24679775

COP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c4nccn4c32)C[C@@H]1OP(=O)(S)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ DTYMK P23919 4/20 0.40
▸ ENPP1 P22413 3/20 0.40
▸ P2RY1 P47900 2/20 0.40
▸ DNPH1 O43598 1/20 0.37
▸ PRKAB2 O43741 1/20 0.37
▸ TRPM2 O94759 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22349197 0.89 DTYMK (0.42) POLBDTYMKENPP1P2RY1DNPH1
SCHEMBL22349189 0.87 POLB (0.51) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22340261 0.85 POLB (0.54) POLBDTYMKENPP1P2RY1DNPH1
SCHEMBL21263830 0.85 ENPP1 (0.44) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL24258612 0.85 ENPP1 (0.44) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22340083 0.85 POLB (0.45) POLBDTYMKENPP1P2RY1DNPH1
SCHEMBL22340090 0.84 POLB (0.44) POLBDTYMKENPP1P2RY1DNPH1
SCHEMBL20691405 0.83 DTYMK (0.41) POLBDTYMKENPP1P2RY1P2RY11
SCHEMBL22340271 0.81 POLB (0.53) POLBDTYMKENPP1P2RY1P2RY2
SCHEMBL24322613 0.81 POLB (0.40) POLBDTYMKENPP1P2RY1

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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