⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL397290 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL1526608 | 0.74 | — | — | |
| SCHEMBL2267470 | 0.71 | DYRK1A (0.35) | — | |
| SCHEMBL908120 | 0.69 | — | — | |
| SCHEMBL8920730 | 0.67 | — | — | |
| SCHEMBL908223 | 0.65 | — | — | |
| SCHEMBL908257 | 0.65 | — | — | |
| SCHEMBL5909639 | 0.63 | ROCK1 (0.35) | — | |
| SCHEMBL907788 | 0.61 | — | — | |
| SCHEMBL624468 | 0.61 | KDM4E (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0099789-B1 | 3-AMINOQUINUCLIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTICAL AGENTS | DELALANDE S.A. (FR) | 1987-07-29 | — | — | EP | claimed |
| US-4657911-A | 3-amino quinuclidine derivatives and the application thereof as accelerators of gastro-intestinal motor function | DELALANDE S.A. (FR) | 1987-04-14 | — | — | US | claimed |
| WO-2008079988-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2011-05-12 | — | — | WO | disclosed |
| EP-2307385-A1 | 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES | Novartis AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20100121052-A1 | Novel compounds for treating proliferative diseases | JAIN RAMA | 2010-05-13 | — | — | US | disclosed |
| WO-2009153313-A1 | 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |
| US-4657911-A | 3-amino quinuclidine derivatives and the application thereof as accelerators of gastro-intestinal motor function | DELALANDE S.A. (FR) | 1987-04-14 | — | — | US | disclosed |