SCHEMBL24201469

SCHEMBL24201469

COc1ccc(C(OCC2O[C@@H](n3cnc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.86
ADORA1 P30542 3/20 0.60
SLC29A1 Q99808 3/20 0.53
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49

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
SCHEMBL22458251 1.00 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL29649690 1.00 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL29649671 1.00 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL5270000 0.93 TYMP (1.00) TYMPADORA1SLC29A1
SCHEMBL22458597 0.93 TYMP (1.00) TYMPADORA1SLC29A1
SCHEMBL1796310 0.93 TYMP (1.00) TYMPADORA1SLC29A1
SCHEMBL21878051 0.93 TYMP (0.74) TYMPADORA1SLC29A1
SCHEMBL29792948 0.93 TYMP (0.74) TYMPADORA1SLC29A1
SCHEMBL29792945 0.93 TYMP (0.74) TYMPADORA1SLC29A1
SCHEMBL20579728 0.91 TYMP (0.72) TYMPADORA1SLC29A1PRKAG1PRKAA1

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
EP-3939988-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2022-01-19 EP disclosed