SCHEMBL5660931

SCHEMBL5660931

CC(=O)Nc1nc(=O)n(CC(C)C)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cc(C#N)cn3C)c12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5662486 0.93
SCHEMBL5662389 0.92
SCHEMBL5661334 0.91
SCHEMBL5659760 0.91
SCHEMBL5661606 0.90
SCHEMBL5662283 0.90
SCHEMBL5659267 0.89
SCHEMBL5662009 0.88
SCHEMBL5739769 0.88
SCHEMBL5661598 0.87

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US claimed
EP-1585748-B1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2006-12-27 EP claimed
EP-1585748-A1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION AstraZeneca AB (SE) 2005-10-19 EP claimed
WO-2004056831-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2004-07-08 WO claimed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
EP-1585748-B1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
EP-1585748-A1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION AstraZeneca AB (SE) 2005-10-19 EP disclosed
WO-2004056831-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2004-07-08 WO disclosed