Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mercaptopurine Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Mercaptopurine Anhydrous SCHEMBL8843 | 0.84 | PI4KA (0.33) | — | |
| Mercaptopurine Anhydrous SCHEMBL5144252 | 0.82 | PI4KA (0.32) | — | |
| Mercaptopurine Anhydrous SCHEMBL734087 | 0.82 | PI4KA (0.32) | — | |
| Purine SCHEMBL2120547 | 0.82 | KDM4A (0.38) | — | |
| Purine SCHEMBL3157 | 0.82 | — | — | |
| Purine SCHEMBL29456595 | 0.82 | — | — | |
| Adenine SCHEMBL844753 | 0.82 | PI4KA (0.37) | — | |
| Purine SCHEMBL6959949 | 0.81 | CHEK1 (0.33) | — | |
| Purine SCHEMBL731403 | 0.81 | — | — | |
| Purine SCHEMBL6438162 | 0.80 | KDM4A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1299084-A2 | LIPOSOMAL ANTINEOPLASTIC DRUGS AND USES THEREOF | Inex Pharmaceuticals Corp. (CA) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002002077-A2 | LIPOSOMAL ANTINEOPLASTIC DRUGS AND USES THEREOF | INEX PHARMACEUTICALS CORPORATION (CA) | 2002-01-10 | — | — | WO | disclosed |
| US-4902717-A | TREATMENT OF ESTROGEN DEPENDENT NEOPLASTIC DISEASE | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-02-20 | — | — | US | disclosed |