SCHEMBL20691937

SCHEMBL20691937

N#CCCOP(O)(=S)OCC1CC(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.36
▸ ADCY5 O95622 5/20 0.34
▸ TYMP P19971 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ FHIT P49789 2/20 0.33
▸ P2RY11 Q96G91 1/20 0.33

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
SCHEMBL20691939 0.89 P2RY1 (0.40) P2RY1ADCY5DGAT1FDPSENPP1
SCHEMBL20691298 0.83 AHCY (0.37) P2RY1TYMPFDPSENPP1
SCHEMBL24258586 0.81 TAS1R3 (0.42) P2RY1
SCHEMBL20691935 0.81 P2RX3 (0.42) TYMP
SCHEMBL20691971 0.81 ADCY5 (0.35) P2RY1ADCY5TYMPDGAT1
SCHEMBL20691301 0.77 TYMP (0.47) TYMP
SCHEMBL20691336 0.72 RNASEL (0.42) P2RY1FDPS
SCHEMBL9471687 0.72 ADCY5 (0.44) P2RY1ADCY5TYMP
SCHEMBL24681005 0.71 ADCY5 (0.55) P2RY1ADCY5ENPP1P2RY11
SCHEMBL20806101 0.70 TAS1R3 (0.37) —

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 2 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
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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