SCHEMBL25630100

SCHEMBL25630100

COc1ccc(C(OC[C@]23CO[C@@H](C2CC(=O)O)[C@H](n2cnc4c(NC(=O)c5ccccc5)ncnc42)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.40
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
PRMT6 Q96LA8 1/20 0.37
P2RY12 Q9H244 1/20 0.37
ADORA1 P30542 2/20 0.37
GAPDH P04406 1/20 0.36

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
SCHEMBL24512768 0.92 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL19814055 0.92 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL1097143 0.92 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL29529257 0.92 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL31390282 0.90 TYMP (0.42) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL21750447 0.88 TYMP (0.39) TYMPADORA2BADORA2AADORA3PRMT6
SCHEMBL24512769 0.87 TYMP (0.39) TYMPADORA2BADORA2AADORA3PRMT6
SCHEMBL22594746 0.86 ADORA3 (0.43) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL6424816 0.86 TYMP (0.43) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL20394061 0.84 ADORA3 (0.45) TYMPADORA2BADORA2AADORA3ADORA1

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-2023111597-A1 THERAPEUTIC OLIGONUCLEOTIDES HAVING AN INTER-NUCLEOSIDE AMIDE LINKAGE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-06-22 WO disclosed