SCHEMBL7950989

SCHEMBL7950989

Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2C1OC2COP(=O)(O)OC2C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 16/20 1.00
▸ PDE4B Q07343 16/20 1.00
▸ PDE4C Q08493 16/20 1.00
▸ PDE4D Q08499 16/20 1.00
▸ PRKACA P17612 2/20 1.00
▸ PRKACG P22612 2/20 1.00
▸ PRKACB P22694 2/20 1.00
▸ BLM P54132 1/20 0.84
▸ RAPGEF3 O95398 1/20 0.80

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
SCHEMBL7521869 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL29381357 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL29399288 0.91 BLM (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL29478506 0.91 BLM (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL30237695 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL5576482 0.89 RAPGEF3 (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL29381930 0.89 RAPGEF3 (1.00) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL20636603 0.88 RAPGEF3 (0.98) PDE4APDE4BPDE4CPDE4DPRKACA
SCHEMBL29825773 0.87 BLM (0.84) PDE4APDE4BPDE4CPDE4DPRKACA
Tocladesine SCHEMBL1651488 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPRKACA

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
WO-2009147169-A1 PHARMACEUTICL COMPOSITIONS USEFUL FOR THE TREATMENT OF CANCERS, IN PARTICULAR ACUTE MYELOID LEUKEMIA AND ACUTE PROMYELOCYTIC LEUKEMIA UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2009-12-10 — — WO disclosed
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