SCHEMBL22700153

SCHEMBL22700153

CC(C)(C)[Si](C)(C)OC[C@H]1OC2[C@@H](Cn3cnc4c(N)nc(Cl)nc43)C2(COCc2ccccc2)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.44
NT5E P21589 14/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL19974417 0.81 PDE2A (0.51) PDE2ANT5E
SCHEMBL19979260 0.79 PDE2A (0.49) PDE2ANT5EPDE4D
SCHEMBL22700162 0.77 PDE2A (0.46) PDE2ANT5E
SCHEMBL19974448 0.72 ADORA2A (0.55) PDE2ANT5EPDE4D
SCHEMBL19974411 0.71 PDE2A (0.46) PDE2ANT5E
SCHEMBL22700332 0.69 PDE2A (0.57) PDE2ANT5EPDE4D
SCHEMBL22700164 0.67 PDE2A (0.52) PDE2ANT5E
SCHEMBL4757814 0.66 ADORA3 (0.56) PDE2ANT5EPDE4D
SCHEMBL22700414 0.65 NT5E (0.44) NT5EPDE4D
SCHEMBL2060472 0.65 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D

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-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