SCHEMBL20691938

SCHEMBL20691938

N#CCCOP(=S)(OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1CO)O[C@H]1C[C@H](n2ccc3c(Cl)ncnc32)O[C@@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ TYMP P19971 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ P2RY1 P47900 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL22349203 0.88 STING1 (0.38) HIF1ATYMPKDM4EPOLB
SCHEMBL22349173 0.87 TYMP (0.33) TYMPSLC29A1
SCHEMBL20692127 0.87 TYMP (0.33) TYMPSLC29A1
SCHEMBL20691331 0.86 P2RY12 (0.38) P2RY1POLB
SCHEMBL21263983 0.80 TAS1R3 (0.36) TYMP
SCHEMBL20691298 0.78 AHCY (0.37) TYMPENPP1P2RY1
SCHEMBL21263982 0.78 TAS1R3 (0.38) TYMPSLC29A1
SCHEMBL20691312 0.77 TYMP (0.39) TYMPKDM4EP2RY1POLB
SCHEMBL20691336 0.75 RNASEL (0.42) P2RY1POLB
SCHEMBL20692221 0.73 P2RX3 (0.36) TYMP

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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