⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3742968 | 0.90 | NR3C1 (0.31) | — | |
| SCHEMBL3732481 | 0.89 | KMO (0.38) | — | |
| SCHEMBL3739303 | 0.83 | — | — | |
| SCHEMBL3734412 | 0.82 | PTPN1 (0.36) | — | |
| SCHEMBL3739627 | 0.82 | TLR8 (0.39) | — | |
| SCHEMBL3734222 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL3734415 | 0.77 | MC2R (0.35) | — | |
| SCHEMBL3737148 | 0.76 | SCN9A (0.30) | — | |
| SCHEMBL4530567 | 0.72 | MCL1 (0.34) | — | |
| SCHEMBL3745247 | 0.71 | SCN9A (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910359-B1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-18 | — | — | EP | claimed |
| EP-1910359-A1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. Hoffmann-Roche AG (CH) | 2008-04-16 | — | — | EP | claimed |
| WO-2007009911-A1 | PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | claimed |
| US-20100280021-A1 | PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS | BERTHEL STEVEN JOSEPH | 2010-11-04 | — | — | US | disclosed |
| EP-1910359-B1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-18 | — | — | EP | disclosed |
| US-20090062276-A1 | PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS | BERTHEL STEVEN JOSEPH | 2009-03-05 | — | — | US | disclosed |
| EP-1910359-A1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. Hoffmann-Roche AG (CH) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009911-A1 | PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | disclosed |
| US-20070021445-A1 | Pyridopyrimidine protein tyrosine phosphatase inhibitors | BERTHEL STEVEN J | 2007-01-25 | — | — | US | disclosed |