⚠ 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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL28815146 | 0.93 | — | — | |
| SCHEMBL154155 | 0.93 | PHGDH (0.41) | — | |
| Methylpiperazine SCHEMBL1363 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678256 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678252 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL54849 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678259 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL7802072 | 0.90 | — | — | |
| SCHEMBL1044666 | 0.90 | PHGDH (0.45) | — | |
| Methylpiperazine SCHEMBL14057910 | 0.90 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462713-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1947102-A1 | Compositions comprising diazepinoindole derivatives as kinase inhibitors | Pfizer, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| US-20070135415-A1 | TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY | AGOURON PHARMACEUTICALS, INC. | 2007-06-14 | — | — | US | disclosed |
| US-7132533-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. (US) | 2006-11-07 | — | — | US | disclosed |
| US-20060004052-A1 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. | 2006-01-05 | — | — | US | disclosed |
| US-6967198-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS INC. (US) | 2005-11-22 | — | — | US | disclosed |
| US-20050075499-A1 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | disclosed |