SCHEMBL3598231

SCHEMBL3598231

C#CCC(N)[C]=O

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
SCHEMBL8534 0.75
SCHEMBL28134173 0.75
SCHEMBL2385129 0.71
SCHEMBL14941161 0.71
SCHEMBL10931857 0.71
SCHEMBL1318434 0.69
SCHEMBL14485168 0.67
SCHEMBL7448544 0.67
SCHEMBL10788422 0.65
SCHEMBL2264879 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US claimed
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (SE) 2009-09-17 US claimed
EP-2064203-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-03 EP claimed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP claimed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032072-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032091-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032060-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERAZINYLPYRIMIDINE DERIVATIVES AS P13K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032033-A1 4-BENZIMIDAZOLYL-2-MORPHOLINO-6-PIPERAZINYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO claimed
WO-2007066103-A1 PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR ASTRAZENECA AB (SE) 2007-06-14 WO claimed
US-H810-H MORPHINE AGONIST Wilkinson, Samuel (GB) 1990-08-07 US claimed
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 US disclosed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US disclosed
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (SE) 2009-09-17 US disclosed
WO-2007066102-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
US-H810-H MORPHINE AGONIST Wilkinson, Samuel (GB) 1990-08-07 US disclosed
US-4254106-A MORPHINE AGONISTS WITH ANALGESIC AND ANTIDIARRHEA ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-03-03 US disclosed