SCHEMBL28632173

SCHEMBL28632173

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.45
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 4/20 0.38
P2RY12 Q9H244 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL22577591 0.93 TYMP (0.47) TYMPADORA2AADORA2BADORA3ADORA1
SCHEMBL28630069 0.90 TYMP (0.42) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL22577468 0.87 TYMP (0.43) TYMPADORA2AADORA2BADORA3
SCHEMBL28633882 0.87 TYMP (0.44) TYMPADORA2AADORA2BADORA3ADORA1
SCHEMBL28635435 0.87 TYMP (0.44) TYMPADORA2AADORA2BADORA3ADORA1
SCHEMBL8359092 0.85 TYMP (0.58) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL22034220 0.85 TYMP (0.58) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL32679036 0.85 TYMP (0.58) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL18797935 0.85 TYMP (0.58) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL32679034 0.85 TYMP (0.58) TYMPADORA2AADORA2BADORA1P2RY12

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