SCHEMBL20691939

SCHEMBL20691939

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.40
▸ FDPS P14324 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ RNASEL Q05823 1/20 0.36
▸ DNPH1 O43598 1/20 0.36
▸ P2RY2 P41231 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADCY5 O95622 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
SCHEMBL20691937 0.89 P2RY1 (0.36) P2RY1FDPSDGAT1ENPP1ADCY5
SCHEMBL20691336 0.83 RNASEL (0.42) P2RY1FDPSPOLBRNASELDNPH1
SCHEMBL20691971 0.81 ADCY5 (0.35) P2RY1DGAT1ADCY5
SCHEMBL9471687 0.74 ADCY5 (0.44) P2RY1ADCY5
SCHEMBL20691935 0.72 P2RX3 (0.42) P2RX3ALDH1A1
SCHEMBL20691298 0.72 AHCY (0.37) P2RY1FDPSENPP1RNASEL
SCHEMBL9686090 0.71 ADCY5 (0.47) P2RY1FDPSDGAT1ADCY5
SCHEMBL24258586 0.70 TAS1R3 (0.42) P2RY1P2RX3P2RX2
SCHEMBL19389400 0.70 POLB (0.59) P2RY1POLBENPP1P2RY2SRC
SCHEMBL17117824 0.70 POLB (0.64) P2RY1POLBENPP1RNASELP2RY2

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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