⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3628722 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL594407 | 0.73 | XDH (0.30) | — | |
| SCHEMBL29965599 | 0.73 | XDH (0.30) | — | |
| SCHEMBL3635441 | 0.73 | IDO1 (0.30) | — | |
| SCHEMBL28782526 | 0.73 | — | — | |
| SCHEMBL22747783 | 0.72 | NOS3 (0.38) | — | |
| SCHEMBL25376293 | 0.72 | PDCD1 (0.40) | — | |
| SCHEMBL3635803 | 0.71 | CYP11B1 (0.36) | — | |
| SCHEMBL392361 | 0.70 | — | — | |
| SCHEMBL594666 | 0.70 | APP (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155735-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-2125794-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | Eli Lilly & Company (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008144222-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | WO | disclosed |
| WO-2008076705-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | ELI LILLY AND COMPANY (US) | 2008-06-26 | — | — | WO | disclosed |