SCHEMBL7209631

SCHEMBL7209631

COc1ccc(Cn2cnc(N)c3nc(C(C)(C)O)nc2-3)cc1OC1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.47
PDE4B Q07343 20/20 0.47
PDE4C Q08493 20/20 0.47
PDE4D Q08499 20/20 0.47

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
Hydrochloric Acid SCHEMBL7208576 0.99 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7205215 0.91 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7210441 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7212615 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7205772 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7211531 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7377329 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7381260 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672386 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7205693 0.80 MEN1 (0.43) 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-1045849-B1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2003-07-02 EP claimed