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Sugi Predict / Compounds / SCHEMBL28630069

SCHEMBL28630069

SCHEMBL28630069

COc1ccc(C(OC[C@H]2S[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)C2F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.42
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ PRMT6 Q96LA8 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL28635435 0.93 TYMP (0.44) TYMPADORA2AADORA2BP2RY12GAPDH
SCHEMBL28633882 0.93 TYMP (0.44) TYMPADORA2AADORA2BP2RY12GAPDH
SCHEMBL28632178 0.91 PRMT6 (0.42) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL28632176 0.91 PRMT6 (0.42) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL28647007 0.90 TYMP (0.39) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL28632173 0.90 TYMP (0.45) TYMPADORA2AADORA2BP2RY12ADORA1
SCHEMBL18797902 0.87 TYMP (0.49) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL18797934 0.87 TYMP (0.49) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL18822662 0.87 TYMP (0.49) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL29792969 0.87 TYMP (0.49) TYMPADORA2AADORA2BPRMT6P2RY12

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