SCHEMBL6673336

SCHEMBL6673336

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)(C)OCc4ccccc4)nc32)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.47
PDE4B Q07343 15/20 0.47
PDE4C Q08493 15/20 0.47
PDE4D Q08499 15/20 0.47
PNP P00491 1/20 0.46
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CSF1R P07333 1/20 0.42

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 0.96 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6672888 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672884 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675826 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6672649 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740525 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6673308 0.81 SIRT2 (0.45) MAPK1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL6677681 0.79 MET (0.46) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6674993 0.77 ALDH1A1 (0.45) MAPK1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL7491119 0.75 PDE4A (0.47) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1045849-B1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2003-07-02 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
EP-1045849-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2001-10-31 EP disclosed
US-6228859-B1 ANTIASTHMATIC, ANTIINFLAMMATORY, ANTIALLERGEN AND ANTIDEPRESSANT AGENTS EURO-CELTIQUE S.A. (LU) 2001-05-08 US disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
EP-1045849-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2000-10-25 EP disclosed
WO-1999031102-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE, S.A. (LU) 1999-06-24 WO disclosed