SCHEMBL6674809

SCHEMBL6674809

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)(C)OCc4ccccc4)nc32)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.48
PDE4B Q07343 19/20 0.48
PDE4C Q08493 19/20 0.48
PDE4D Q08499 19/20 0.48
PNP P00491 1/20 0.48

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
SCHEMBL6673336 0.96 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6672884 0.92 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672888 0.91 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672649 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674257 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740525 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6677681 0.80 MET (0.46) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6674993 0.80 ALDH1A1 (0.45)
SCHEMBL6675826 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6673308 0.78 SIRT2 (0.45)

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-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed