SCHEMBL9702440

SCHEMBL9702440

Nc1ncnc2c1nc(N)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 1.00
▸ PDE4B Q07343 15/20 1.00
▸ PDE4C Q08493 15/20 1.00
▸ PDE4D Q08499 15/20 1.00
▸ STING1 Q86WV6 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ GMNN O75496 1/20 0.71
▸ RAPGEF3 O95398 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ RAPGEF4 Q8WZA2 1/20 0.71
▸ PRKACA P17612 1/20 0.70
▸ PRKACG P22612 1/20 0.70
▸ PRKACB P22694 1/20 0.70

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
Tocladesine SCHEMBL29381763 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL29384358 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL5951342 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL9505216 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL2713659 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
Tocladesine SCHEMBL1651488 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL14261298 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DSTING1
Tocladesine SCHEMBL125595 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL29359388 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL16079734 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSTING1

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-0499291-A1 Treatment of malignant tumours with 8-chloroadenosine 3'-5'-cyclic phosphate, 8-aminoadenosine 3',5'-cyclic phosphate and preparation thereof NUCLEIC ACID RESEARCH INSTITUTE (US) 1992-08-19 — — EP disclosed
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