⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7504648 | 0.73 | CYP3A4 (0.39) | — | |
| SCHEMBL5658620 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL4470377 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL2461470 | 0.68 | HSD17B10 (0.42) | — | |
| SCHEMBL182910 | 0.65 | — | — | |
| SCHEMBL17790252 | 0.64 | ALOX5 (0.42) | — | |
| SCHEMBL10768398 | 0.63 | — | — | |
| SCHEMBL755488 | 0.63 | — | — | |
| SCHEMBL5082151 | 0.62 | KDM4E (0.36) | — | |
| SCHEMBL14386111 | 0.62 | MAPT (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114206870-A | Tricyclic AKR1C3 dependent KARS inhibitors | 诺华股份有限公司 | 2022-03-18 | — | — | CN | disclosed |
| EP-2630135-B1 | 1-(HETEROCYCLIC CARBONYL) PIPERIDINES | BAYER IP GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |
| CN-102174024-B | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2015-02-11 | — | — | CN | disclosed |
| CN-102174024-A | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2011-09-07 | — | — | CN | disclosed |
| CN-1625400-B | 2, 4-pyrimidinediamine compounds and uses thereof | RIGEL PHARMACEUTICALS INC | 2011-04-13 | — | — | CN | disclosed |
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |
| CN-1625400-A | 2, 4-pyrimidinediamine compounds and uses thereof | RIGEL PHARMACEUTICALS INC (US) | 2005-06-08 | — | — | CN | disclosed |