⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7776038 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL4670276 | 0.84 | LPAR6 (0.35) | — | |
| SCHEMBL9611250 | 0.84 | LPAR6 (0.35) | — | |
| SCHEMBL7771266 | 0.82 | LPAR6 (0.31) | — | |
| SCHEMBL14643062 | 0.81 | LPAR6 (0.38) | — | |
| SCHEMBL7777471 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL7777346 | 0.78 | DNM1 (0.32) | — | |
| SCHEMBL7777472 | 0.78 | CYP3A4 (0.32) | — | |
| SCHEMBL7771270 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL14000853 | 0.77 | ALDH1A1 (0.33) | — |
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-0733045-B1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |
| US-5880130-A | TREATMENT OF CELL-PROLIFERATION DISEASES | ZENECA LIMITED (GB) | 1999-03-09 | — | — | US | disclosed |
| EP-0733045-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015952-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1995-06-15 | — | — | WO | disclosed |