SCHEMBL24679905

SCHEMBL24679905

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)S)[C@H]1COP(=O)(S)OC[C@@H]1CC[C@H](n2cnc3c(O)nc4nccn4c32)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ ENPP1 P22413 2/20 0.37
▸ FHIT P49789 4/20 0.37
▸ P2RY1 P47900 3/20 0.37
▸ 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

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
SCHEMBL24680762 0.90 POLB (0.50) RNASELPOLBENPP1FHITP2RY1
SCHEMBL20691300 0.86 FHIT (0.38) RNASELPOLBENPP1FHITP2RY1
SCHEMBL24258606 0.84 POLB (0.42) RNASELPOLBENPP1FHITP2RY1
SCHEMBL24258615 0.83 RNASEL (0.38) RNASELPOLBENPP1FHITP2RY1
SCHEMBL20691463 0.79 POLB (0.48) RNASELPOLBENPP1FHITP2RY1
SCHEMBL24258666 0.77 POLB (0.37) RNASELPOLBENPP1FHITP2RY1
SCHEMBL22352200 0.77 POLB (0.53) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22352087 0.77 POLB (0.53) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL21636992 0.77 POLB (0.53) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL16221579 0.77 POLB (0.53) POLBENPP1P2RY1DNPH1PRKAB2

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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