⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8592779 | 1.00 | — | — | |
| SCHEMBL22200611 | 0.83 | SLC6A2 (0.35) | — | |
| SCHEMBL21107258 | 0.82 | CYP2D6 (0.33) | — | |
| SCHEMBL21084858 | 0.82 | CYP2D6 (0.33) | — | |
| SCHEMBL24151198 | 0.82 | CYP2D6 (0.33) | — | |
| SCHEMBL15384123 | 0.81 | PIK3CD (0.30) | — | |
| Hydrochloric Acid SCHEMBL22190673 | 0.80 | CYP2D6 (0.32) | — | |
| SCHEMBL8788449 | 0.79 | — | — | |
| SCHEMBL14199751 | 0.78 | ADH1A (0.35) | — | |
| SCHEMBL18475299 | 0.78 | SLC6A4 (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130324530-A1 | 3-(AMINOARYL)-PYRIDINE COMPOUNDS | NOVARTIS AG | 2013-12-05 | — | — | US | disclosed |
| EP-2668162-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-11-14 | — | — | US | disclosed |
| WO-2012101065-A2 | PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101066-A1 | PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |