⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL908377 | 1.00 | — | — | |
| SCHEMBL5600868 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL5603763 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL4158486 | 0.67 | — | — | |
| SCHEMBL908059 | 0.67 | — | — | |
| SCHEMBL4161788 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL5600756 | 0.65 | POLB (0.33) | — | |
| SCHEMBL5601257 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL2071909 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL907983 | 0.62 | ALDH1A1 (0.35) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019196720-A1 | ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2019-10-17 | — | — | WO | claimed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | claimed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | claimed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | claimed |
| WO-2019196720-A1 | ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2019-10-17 | — | — | WO | disclosed |
| US-20140051699-A1 | PI3K (delta) SELECTIVE INHIBITORS | XCOVERY HOLDING COMPANY, LLC (US) | 2014-02-20 | — | — | US | disclosed |
| US-8569296-B2 | PI3K (delta) selective inhibitors | XCOVERY HOLDING COMPANY, LLC (US) | 2013-10-29 | — | — | US | disclosed |
| US-8513221-B2 | PI3K isoform selective inhibitors | Xcovery Holding, LLC (US) | 2013-08-20 | — | — | US | disclosed |
| US-20120202805-A1 | PI3K (delta) SELECTIVE INHIBITORS | XCOVERY HOLDING COMPANY, LLC | 2012-08-09 | — | — | US | disclosed |
| EP-2483272-A2 | PI3K (DELTA) SELECTIVE INHIBITORS | Xcovery Holding Company LLC (US) | 2012-08-08 | — | — | EP | disclosed |
| US-20110130395-A1 | P13K ISOFORM SELECTIVE INHIBITORS | XCOVERY HOLDING COMPANY LLC | 2011-06-02 | — | — | US | disclosed |
| EP-2307414-A2 | PI3K ISOFORM SELECTIVE INHIBITORS | Xcovery Holding Company LLC (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2011041399-A2 | PI3K (DELTA) SELECTIVE INHIBITORS | TYROGENEX, INC. (US) | 2011-04-07 | — | — | WO | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010005558-A2 | PI3K ISOFORM SELECTIVE INHIBITORS | XCOVERY, INC. (US) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |
| WO-2003053941-A2 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003040103-A1 | β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-05-15 | — | — | WO | disclosed |