⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1462809 | 0.83 | — | — | |
| SCHEMBL1461953 | 0.75 | FFAR2 (0.36) | — | |
| SCHEMBL1191983 | 0.73 | AOC2 (0.35) | — | |
| SCHEMBL1192511 | 0.69 | TTK (0.31) | — | |
| SCHEMBL1947972 | 0.69 | FFAR2 (0.41) | — | |
| SCHEMBL1463014 | 0.69 | — | — | |
| SCHEMBL14828501 | 0.69 | — | — | |
| SCHEMBL1462674 | 0.67 | CYP2C9 (0.33) | — | |
| SCHEMBL1945103 | 0.67 | RORC (0.32) | — | |
| SCHEMBL1462706 | 0.67 | AOC2 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140288076-A1 | HETEROARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2014-09-25 | — | — | US | disclosed |
| US-8778951-B2 | Heteroaryl compounds and their uses | NOVARTIS AG (CH) | 2014-07-15 | — | — | 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 |
| US-20130172354-A1 | HETEROARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-07-04 | — | — | US | disclosed |
| WO-2012101066-A1 | PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101065-A2 | PYRIMIDINE 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 |