SCHEMBL19979260

SCHEMBL19979260

CC(C)(C)[Si](C)(C)OC1[C@@H](CO)O[C@H]2C(n3cnc4c(N)nc(Cl)nc43)C12COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.49
ADORA2A P29274 3/20 0.46
ADORA2B P29275 1/20 0.43
NT5E P21589 10/20 0.43
PDE4D Q08499 2/20 0.42
PDE3A Q14432 2/20 0.42
PNP P00491 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL22700162 0.87 PDE2A (0.46) PDE2ANT5EADORA3
SCHEMBL22700332 0.87 PDE2A (0.57) PDE2AADORA2AADORA2BNT5EPDE4D
SCHEMBL19974448 0.86 ADORA2A (0.55) PDE2AADORA2AADORA2BNT5EPDE4D
SCHEMBL19979067 0.79 LMNA (0.40) ADORA2ANT5ELMNATP53ADORA3
SCHEMBL22700153 0.79 PDE2A (0.44) PDE2ANT5EPDE4D
SCHEMBL19974417 0.78 PDE2A (0.51) PDE2AADORA2ANT5E
SCHEMBL22700164 0.77 PDE2A (0.52) PDE2ANT5EADORA3
SCHEMBL19974427 0.76 ADORA2A (0.68) PDE2AADORA2AADORA2BNT5EPDE4D
SCHEMBL19978932 0.76 PDE2A (0.49) PDE2AADORA2ANT5EADORA3
SCHEMBL22700179 0.75 NT5E (0.43) ADORA2ANT5EADORA3

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-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO disclosed