SCHEMBL30140978

SCHEMBL30140978

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)CC2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.45
NT5E P21589 5/20 0.39
CA5A P35218 1/20 0.38
ADORA1 P30542 2/20 0.37
AHCY P23526 1/20 0.36
ADORA2A P29274 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
SCHEMBL7608943 0.86 TYMP (0.59) TYMPNT5ECA5AADORA1AHCY
SCHEMBL7607071 0.86 TYMP (0.59) TYMPNT5ECA5AADORA1AHCY
SCHEMBL30140969 0.85 TYMP (0.50) TYMPNT5EADORA1
SCHEMBL30140966 0.85 TYMP (0.50) TYMPNT5ECA5AADORA1ADORA2A
SCHEMBL30141046 0.82 TYMP (0.47) TYMPNT5ECA5AADORA1
SCHEMBL30140976 0.82 TYMP (0.47) TYMPNT5ECA5AADORA1
SCHEMBL4827218 0.82 TYMP (0.45) TYMPADORA1ADORA2A
SCHEMBL5133061 0.81 KDM4E (0.53) TYMPNT5E
SCHEMBL14049947 0.81 TYMP (0.44) TYMPADORA2A
SCHEMBL7882460 0.80 TYMP (0.49) TYMPNT5EADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370136-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
WO-2023288045-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-19 WO disclosed