⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3403167 | 0.74 | POLB (0.35) | — | |
| SCHEMBL2687375 | 0.74 | POLB (0.35) | — | |
| SCHEMBL3399329 | 0.73 | — | — | |
| SCHEMBL3430323 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL2688001 | 0.71 | — | — | |
| SCHEMBL14949547 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL2687536 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL3403314 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL14311832 | 0.69 | PIN1 (0.31) | — | |
| SCHEMBL3397410 | 0.69 | PIN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | claimed |
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| EP-2247594-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | Nycomed GmbH (DE) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106531-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2009-09-03 | — | — | WO | disclosed |