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SCHEMBL20692152

SCHEMBL20692152

COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1OP(=O)(O)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 8/20 0.57
▸ NT5E P21589 1/20 0.53
▸ P2RY1 P47900 2/20 0.52
▸ SRC P12931 1/20 0.52
▸ P2RY2 P41231 1/20 0.52
▸ P2RX1 P51575 1/20 0.52
▸ P2RX3 P56373 1/20 0.52
▸ P2RX4 Q99571 1/20 0.52
▸ P2RX2 Q9UBL9 1/20 0.52

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
SCHEMBL20691370 0.94 RNASEL (0.54) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL24679777 0.89 RNASEL (0.57) RNASELNT5EP2RY1
SCHEMBL20691346 0.88 NT5E (0.49) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL22080502 0.87 RNASEL (0.57) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL26201920 0.86 RNASEL (0.63) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL26757313 0.83 NT5E (0.58) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL26757820 0.83 NT5E (0.58) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL24258560 0.82 NT5E (0.43) RNASELNT5EP2RY1SRCP2RY2
SCHEMBL21133330 0.81 RNASEL (0.65) RNASELP2RY1SRCP2RY2
SCHEMBL25634748 0.80 P2RY1 (0.67) P2RY1SRCP2RY2P2RX1P2RX3

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