SCHEMBL24681005

SCHEMBL24681005

Nc1ncnc2c1ncn2C1CC(COP(O)(O)=S)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 6/20 0.55
▸ ADORA2A P29274 5/20 0.54
▸ ADORA1 P30542 4/20 0.52
▸ ADORA3 P0DMS8 3/20 0.52
▸ PI4KA P42356 3/20 0.52
▸ PI4K2B Q8TCG2 3/20 0.52
▸ PI4K2A Q9BTU6 3/20 0.52
▸ PI4KB Q9UBF8 3/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ ENPP1 P22413 1/20 0.48
▸ DNPH1 O43598 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47

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
SCHEMBL20224919 0.84 ADORA2A (0.49) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL9343605 0.82 ADORA2A (0.67) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL9343603 0.82 ADORA2A (0.67) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL21636982 0.81 ADCY5 (0.66) ADCY5ADORA2AADORA1DNPH1PRKAB2
SCHEMBL21263838 0.81 ADCY5 (0.43) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL20434932 0.79 ADCY5 (0.64) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL20434928 0.79 ADCY5 (0.64) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL24465167 0.79 ADCY5 (0.64) ADCY5ADORA2AADORA1ADORA3PI4KA
SCHEMBL24059865 0.78 POLB (0.73) ADORA1ENPP1DNPH1PRKAB2TRPM2
SCHEMBL20277576 0.78 POLB (0.73) ADORA1ENPP1DNPH1PRKAB2TRPM2

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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