⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4974655 | 0.83 | MAPK1 (0.31) | — | |
| SCHEMBL4974635 | 0.82 | MAPK1 (0.30) | — | |
| SCHEMBL874920 | 0.80 | ALOX15 (0.31) | — | |
| SCHEMBL6984958 | 0.80 | INMT (0.34) | — | |
| SCHEMBL3469140 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL6686488 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL4968832 | 0.77 | ALDH1A1 (0.49) | — | |
| SCHEMBL9698433 | 0.74 | MGLL (0.44) | — | |
| SCHEMBL3659138 | 0.68 | INMT (0.31) | — | |
| SCHEMBL1822147 | 0.67 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569937-B1 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL MYERS SQUIBB CO (US) | 2011-11-23 | — | — | EP | disclosed |
| US-20110039838-A1 | PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-02-17 | — | — | US | disclosed |
| US-7846931-B2 | Pyrrolotriazine compounds as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-12-07 | — | — | US | disclosed |
| EP-2234989-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |
| WO-2009077371-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |
| EP-2058314-A1 | Pyrrolotriazine compounds as kinase inhibitors | Bristol-Myers Squibb Company (US) | 2009-05-13 | — | — | EP | disclosed |
| EP-2038264-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| EP-1699798-A4 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-03-11 | — | — | EP | disclosed |
| US-20090048244-A1 | PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-02-19 | — | — | US | disclosed |
| US-6916815-B2 | C-6 modified indazolylpyrrolotriazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-12 | — | — | US | disclosed |
| US-20040142931-A1 | C-6 modified indazolylpyrrolotriazines | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-22 | — | — | US | disclosed |
| EP-1319001-A1 | PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-18 | — | — | EP | disclosed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | disclosed |
| WO-2002024694-A1 | PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2002-03-28 | — | — | WO | disclosed |
| EP-1154774-A1 | QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | AstraZeneca AB (SE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000047212-A1 | QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | ASTRAZENECA AB (SE) | 2000-08-17 | — | — | WO | disclosed |
| US-5641778-A | EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-06-24 | — | — | US | disclosed |
| EP-0716077-A1 | Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors | CIBA-GEIGY AG (CH) | 1996-06-12 | — | — | EP | disclosed |