SCHEMBL24258606

SCHEMBL24258606

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)S)[C@H]1COP(=O)(S)OC[C@@H]1CC[C@H](n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ RNASEL Q05823 1/20 0.41
▸ ENPP1 P22413 3/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ FHIT P49789 4/20 0.39
▸ BCHE P06276 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL24258668 0.89 TAS1R3 (0.42) RNASELP2RY1TAS1R3TAS1R1FHIT
SCHEMBL24444145 0.89 POLB (0.46) POLBRNASELENPP1P2RY1TAS1R3
SCHEMBL24258656 0.89 TAS1R3 (0.42) RNASELP2RY1TAS1R3TAS1R1FHIT
SCHEMBL21263835 0.88 POLB (0.40) POLBRNASELENPP1P2RY1TAS1R3
SCHEMBL24679905 0.84 RNASEL (0.40) POLBRNASELENPP1P2RY1TAS1R3
SCHEMBL24258615 0.84 RNASEL (0.38) POLBRNASELENPP1P2RY1TAS1R3
SCHEMBL22219806 0.83 TAS1R3 (0.54) POLBP2RY1TAS1R3TAS1R1P2RX3
SCHEMBL21636992 0.81 POLB (0.53) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL22352200 0.81 POLB (0.53) POLBENPP1P2RY1TAS1R3TAS1R1
SCHEMBL22352087 0.81 POLB (0.53) POLBENPP1P2RY1TAS1R3TAS1R1

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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