SCHEMBL691782

SCHEMBL691782

CCn1c(CC#N)nc2c(Cl)ncc(Br)c21

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
SCHEMBL13435148 0.83 ADORA3 (0.31)
SCHEMBL14030991 0.77 HPGD (0.36)
SCHEMBL27638169 0.75
SCHEMBL691440 0.74 ALDH1A1 (0.46)
SCHEMBL4062568 0.74 RPS6KA5 (0.47)
SCHEMBL4596427 0.72 RORC (0.32)
SCHEMBL14031147 0.70
SCHEMBL5608053 0.64 GRM2 (0.30)
SCHEMBL14031604 0.64 TLR7 (0.40)
SCHEMBL4243865 0.63 ALDH1A1 (0.32)

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2286232-B1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2012-02-29 EP disclosed
EP-2286232-B1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2012-02-29 EP disclosed
CN-102027371-A Methods for the identification of PARP interacting molecules and for purification of PARP proteins CELLZOME AG 2011-04-20 CN disclosed
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG 2011-03-24 US disclosed
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG 2011-03-24 US disclosed
EP-2286232-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2011-02-23 EP disclosed
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058852-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed