SCHEMBL22458596

SCHEMBL22458596

COc1ccc(C(OC[C@@H]2CC[C@H](n3cnc4c(Cl)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.56
BCHE P06276 1/20 0.39
ADORA1 P30542 2/20 0.37
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL22458598 0.93 TYMP (0.63) TYMPBCHEADORA1CYP1A2
SCHEMBL12067762 0.90 BCHE (0.49) TYMPBCHEADORA1
SCHEMBL21474287 0.88 TYMP (0.46) TYMPBCHEADORA1PAX8
SCHEMBL15488823 0.85 TYMP (0.47) TYMPBCHEADORA1
SCHEMBL18486220 0.84 TYMP (0.62) TYMPADORA1
SCHEMBL23772807 0.84 TYMP (0.46) TYMPADORA1
SCHEMBL21158501 0.84 TYMP (0.46) TYMPADORA1
SCHEMBL20691448 0.84 TYMP (0.46) TYMPADORA1
SCHEMBL21427350 0.83 TYMP (0.42) TYMPBCHECYP1A2
SCHEMBL12515629 0.83 TYMP (0.68) TYMPBCHECYP1A2

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-3848054-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF Daiichi Sankyo Company, Limited (JP) 2021-07-14 EP disclosed
WO-2020190073-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT 한국화학연구원 2020-09-24 WO disclosed