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Sugi Predict / Compounds / SCHEMBL30689461

SCHEMBL30689461

SCHEMBL30689461

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 7/20 0.58
▸ ADORA1 P30542 1/20 0.49
▸ P2RY12 Q9H244 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47

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
SCHEMBL23650062 0.94 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL7708120 0.94 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL30091055 0.94 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL6513309 0.94 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL30396368 0.94 TYMP (0.58) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL27028364 0.94 TYMP (0.56) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL7261560 0.94 TYMP (0.56) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL27135325 0.94 TYMP (0.56) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL8386141 0.93 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL917678 0.93 TYMP (0.67) TYMPADORA1P2RY12

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
WO-2023235362-A1 RNA CAP ANALOGS AND METHODS OF USE NUTCRACKER THERAPEUTICS, INC. (US) 2023-12-07 — — WO disclosed