SCHEMBL21158501

SCHEMBL21158501

COc1ccc(C(OCC2CCC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.46
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
PRMT6 Q96LA8 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL20691448 1.00 TYMP (0.46) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL23772807 1.00 TYMP (0.46) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL31093231 0.90 TYMP (0.49) TYMPADORA2AADORA2BP2RY12ADORA1
SCHEMBL13375789 0.90 ADORA1 (0.41) TYMPADORA2BADORA1
SCHEMBL21474287 0.89 TYMP (0.46) TYMPADORA2AADORA2BADORA1PRKAG1
SCHEMBL13375787 0.88 ADORA3 (0.39) TYMPADORA2BADORA1
SCHEMBL28646926 0.87 TYMP (0.46) TYMPADORA2AADORA2BPRMT6P2RY12
SCHEMBL13057654 0.87 TYMP (0.51) TYMPADORA2AADORA2BP2RY12ADORA1
SCHEMBL18496453 0.87 TYMP (0.51) TYMPADORA2AADORA2BP2RY12ADORA1
SCHEMBL18490400 0.87 TYMP (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250368-A2 ATXN2 RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-12-28 WO disclosed
WO-2023177972-A1 SARM1 RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-09-21 WO disclosed
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 EP disclosed
EP-3865576-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed
EP-3569711-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2021-02-03 EP disclosed
EP-3569711-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2019-11-20 EP disclosed
EP-3234132-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2019-07-10 EP disclosed