Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL161724 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL219321 | 0.93 | — | — | |
| SCHEMBL30849109 | 0.81 | — | — | |
| SCHEMBL57656 | 0.72 | DYRK1A (0.37) | — | |
| SCHEMBL4011600 | 0.70 | DYRK1A (0.43) | — | |
| SCHEMBL4266468 | 0.70 | — | — | |
| SCHEMBL4414675 | 0.69 | DYRK1A (0.35) | — | |
| SCHEMBL25211464 | 0.68 | — | — | |
| SCHEMBL15109579 | 0.68 | — | — | |
| SCHEMBL21737405 | 0.68 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945631-B1 | 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2012-08-08 | — | — | EP | disclosed |
| US-20120071480-A1 | 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | ASTRAZENECA R&D (SE) | 2012-03-22 | — | — | US | disclosed |
| US-8088784-B2 | 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer | ASTRAZENECA AB (SE) | 2012-01-03 | — | — | US | disclosed |
| EP-2388259-A1 | 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer | AstraZeneca AB (SE) | 2011-11-23 | — | — | EP | disclosed |
| US-8040733-B2 | Non-volatile memory device and method of operating the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2011-10-18 | — | — | US | disclosed |
| US-20100160325-A1 | 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2010-06-24 | — | — | US | disclosed |
| US-20080287475-A1 | 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer | ASTRAZENECA AB (SE) | 2008-11-20 | — | — | US | disclosed |
| EP-1945631-A1 | 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007049041-A1 | 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-05-03 | — | — | WO | disclosed |