SCHEMBL28632176

SCHEMBL28632176

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.42
TYMP P19971 2/20 0.41
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL28632178 1.00 PRMT6 (0.42) PRMT6TYMPADORA2AADORA2BPRKAB2
SCHEMBL28633882 0.92 TYMP (0.44) TYMPADORA2AADORA2BP2RY12ADORA3
SCHEMBL28635435 0.92 TYMP (0.44) TYMPADORA2AADORA2BP2RY12ADORA3
SCHEMBL28630069 0.91 TYMP (0.42) PRMT6TYMPADORA2AADORA2BP2RY12
SCHEMBL28647007 0.90 TYMP (0.39) PRMT6TYMPADORA2AADORA2BP2RY12
SCHEMBL18797898 0.87 PRMT6 (0.52) PRMT6TYMPADORA2AADORA2BPRKAB2
SCHEMBL18797899 0.87 PRMT6 (0.52) PRMT6TYMPADORA2AADORA2BPRKAB2
SCHEMBL22577591 0.85 TYMP (0.47) TYMPADORA2AADORA2BADORA3
SCHEMBL20482910 0.83 TYMP (0.55) TYMPADORA2AADORA2BP2RY12
SCHEMBL21591934 0.83 TYMP (0.55) TYMPADORA2AADORA2BP2RY12

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