SCHEMBL20691935

SCHEMBL20691935

N#CCCOP(O)(=S)OCC1CC(n2cnc3c(=O)[nH]cnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.42
▸ HPRT1 P00492 11/20 0.42
▸ ADORA3 P0DMS8 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TYMP P19971 1/20 0.39
▸ PNP P00491 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
SCHEMBL24444066 0.84 ALDH1A1 (0.42) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL20691937 0.81 P2RY1 (0.36) TYMP
SCHEMBL24258586 0.80 TAS1R3 (0.42) P2RX3
SCHEMBL24258558 0.78 ALDH1A1 (0.39) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL20671325 0.75 ADORA3 (0.53) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL21539861 0.73 ALDH1A1 (0.61) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL21636980 0.73 ALDH1A1 (0.61) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL20691939 0.72 P2RY1 (0.40) P2RX3ALDH1A1
SCHEMBL21263957 0.70 ALDH1A1 (0.41) P2RX3HPRT1ADORA3ALDH1A1LMNA
SCHEMBL9308280 0.70 ALDH1A1 (0.60) P2RX3HPRT1ADORA3ALDH1A1LMNA

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 3 patents. 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
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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