⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14738085 | 1.00 | — | — | |
| SCHEMBL1611990 | 1.00 | — | — | |
| SCHEMBL3968340 | 0.86 | GNAI3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3430097 | 0.84 | GNAI3 (0.42) | — | |
| SCHEMBL23127355 | 0.81 | — | — | |
| SCHEMBL26685539 | 0.80 | — | — | |
| SCHEMBL24269649 | 0.80 | — | — | |
| SCHEMBL20689231 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL14941168 | 0.78 | — | — | |
| SCHEMBL2332619 | 0.75 | MAOB (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781640-B1 | 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| US-20110086842-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-20090163465-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-11 | — | — | US | disclosed |
| US-7521457-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-21 | — | — | US | disclosed |
| US-20060148800-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-07-06 | — | — | US | disclosed |