SCHEMBL6672884

SCHEMBL6672884

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)(C)OCc4ccc(F)cc4)nc32)cc1OC

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
SCHEMBL6674809 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674257 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6673336 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6677681 0.88 MET (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672888 0.83 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672649 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740525 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6677655 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672389 0.74 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674993 0.74 ALDH1A1 (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