⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2449904 | 0.72 | — | — | |
| SCHEMBL2846014 | 0.66 | BACE1 (0.37) | — | |
| SCHEMBL2914680 | 0.66 | — | — | |
| SCHEMBL17875242 | 0.65 | — | — | |
| SCHEMBL2447942 | 0.65 | APP (0.33) | — | |
| SCHEMBL4292715 | 0.63 | TAAR1 (0.32) | — | |
| SCHEMBL4454785 | 0.62 | — | — | |
| SCHEMBL23638972 | 0.59 | — | — | |
| SCHEMBL27959066 | 0.59 | — | — | |
| SCHEMBL29838690 | 0.58 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7419984-B2 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. (US) | 2008-09-02 | — | — | US | claimed |
| US-20160271131-A1 | METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES | ROCHE PALO ALTO LLC (US) | 2016-09-22 | — | — | US | disclosed |
| US-8846705-B2 | Diaminopyrimidines as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2014-09-30 | — | — | US | disclosed |
| CN-104024248-A | SERINE/THREONINE PAK1 INHIBITORS | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| US-20130225570-A1 | METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES | ROCHE PALO ALTO LLC (US) | 2013-08-29 | — | — | US | disclosed |
| US-20120122859-A1 | METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES | ROCHE PALO ALTO LLC. | 2012-05-17 | — | — | US | disclosed |
| US-7858632-B2 | Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine | ROCHE PALO ALTO LLC (US) | 2010-12-28 | — | — | US | disclosed |
| WO-2009063240-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF AURORA KINASE | ARROW THERAPEUTICS LIMITED (GB) | 2009-05-22 | — | — | WO | disclosed |
| US-20090099183-A1 | PYRIMIDINES AND USES THEREOF | CELL THERAPEUTICS, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| US-7419984-B2 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-20050209260-A1 | Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine | ROCHE PALO ALTO LLC | 2005-09-22 | — | — | US | disclosed |
| US-20040204386-A1 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. | 2004-10-14 | — | — | US | disclosed |