SCHEMBL6675460

SCHEMBL6675460

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)C)nc32)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.54
PDE4B Q07343 10/20 0.54
PDE4C Q08493 10/20 0.54
PDE4D Q08499 10/20 0.54
PNP P00491 1/20 0.43
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
YTHDC1 Q96MU7 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL6677655 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6675826 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6675792 0.83 PNP (0.50) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6155745 0.82 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674156 0.80 PNP (0.53) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6674800 0.77 PNP (0.54) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6673827 0.77 PDE5A (0.46) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL7491119 0.76 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPNP
Hydrochloric Acid SCHEMBL7864182 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPNP
Hydrochloric Acid SCHEMBL7853858 0.72 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPNP

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 8 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 claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed