SCHEMBL28645640

SCHEMBL28645640

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.38
▸ PRMT5 O14744 5/20 0.34
▸ WDR77 Q9BQA1 5/20 0.34
▸ ADK P55263 1/20 0.34
▸ GAPDH P04406 1/20 0.33
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL18822654 0.91 TYMP (0.46) TYMPPRMT6
SCHEMBL23023831 0.89 TYMP (0.46) TYMPPRMT5WDR77ADK
SCHEMBL18521315 0.89 TYMP (0.46) TYMPPRMT5WDR77ADK
SCHEMBL22381870 0.89 TYMP (0.46) TYMPPRMT5WDR77ADK
SCHEMBL23023830 0.89 TYMP (0.46) TYMPPRMT5WDR77ADK
SCHEMBL18521074 0.89 TYMP (0.46) TYMPPRMT5WDR77ADK
SCHEMBL23023832 0.89 TYMP (0.39) TYMPPRMT5WDR77ADKGAPDH
SCHEMBL29814359 0.88 TYMP (0.39) TYMPPRMT5WDR77ADKGAPDH
SCHEMBL28627963 0.87 TYMP (0.40) TYMPPRMT5WDR77ADKRET
SCHEMBL23702464 0.87 TYMP (0.38) TYMPPRMT5WDR77ADKGAPDH

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
CN-109694397-B Cyclic dinucleotide compounds, preparation method and application thereof 上海弘翊生物科技有限公司 2021-08-31 — — CN disclosed
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