SCHEMBL24680655

SCHEMBL24680655

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 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
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 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
SCHEMBL20691346 0.88 NT5E (0.49) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL20691956 0.87 RNASEL (0.40) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL24258560 0.85 NT5E (0.43) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL24258653 0.85 NT5E (0.37) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL22340335 0.85 NT5E (0.48) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL20691370 0.83 RNASEL (0.54) NT5ESRCP2RY2P2RY1RNASEL
SCHEMBL24258651 0.81 RNASEL (0.45) RNASEL
SCHEMBL24679775 0.79 POLB (0.40) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20691954 0.79 NT5E (0.51) NT5EDNPH1PRKAB2TRPM2LDHA
SCHEMBL21263953 0.78 TAS1R3 (0.42) NT5EDNPH1PRKAB2TRPM2LDHA

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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