⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1108637 | 0.88 | CA12 (0.48) | — | |
| SCHEMBL13874664 | 0.88 | CA12 (0.48) | — | |
| SCHEMBL15291340 | 0.88 | CA12 (0.48) | — | |
| SCHEMBL9431723 | 0.88 | CA12 (0.48) | — | |
| SCHEMBL2823734 | 0.88 | CA12 (0.48) | — | |
| Hydrochloric Acid SCHEMBL493210 | 0.86 | CA12 (0.47) | — | |
| Hydrochloric Acid SCHEMBL492681 | 0.86 | CA12 (0.47) | — | |
| Hydrochloric Acid SCHEMBL9706304 | 0.86 | CA12 (0.47) | — | |
| SCHEMBL12163497 | 0.76 | HTR3E (0.38) | — | |
| SCHEMBL10299783 | 0.76 | CHRM1 (0.36) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109929-A1 | HETEROCYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2023-06-22 | — | — | WO | disclosed |
| US-20170224696-A9 | TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS | WYETH LLC | 2017-08-10 | — | — | US | disclosed |
| US-20170119778-A1 | TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS | WYETH LLC (US) | 2017-05-04 | — | — | US | disclosed |
| US-9216980-B2 | Methods of use of diazacarbazoles for treating cancer | GENENTECH, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20150087630-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | GENENTECH, INC. (US) | 2015-03-26 | — | — | US | disclosed |
| US-8859542-B2 | Triazine compounds as PI3 kinase and mTOR inhibitors | WYETH LLC (US) | 2014-10-14 | — | — | US | disclosed |
| US-8748421-B2 | Triazine compounds as P13 kinase and MTOR inhibitors | WYETH LLC (US) | 2014-06-10 | — | — | US | disclosed |
| US-8575159-B2 | Triazine compounds as PI3 kinase and mTOR inhibitors | WYETH LLC (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130261104-A1 | METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER | GENENTECH, INC. (US) | 2013-10-03 | — | — | US | disclosed |
| US-8501765-B2 | Diazacarbazoles and methods of use | GENENTECH, INC. (US) | 2013-08-06 | — | — | US | disclosed |
| US-8445486-B2 | Triazine compounds as PI3 kinase and mTOR inhibitors | WYETH LLC (US) | 2013-05-21 | — | — | US | disclosed |
| US-20130109670-A1 | TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS | PFIZER INC. (US) | 2013-05-02 | — | — | US | disclosed |
| US-20090291079-A1 | Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease | WYETH (US) | 2009-11-26 | — | — | US | disclosed |