Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Neratinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 known ✓ | P04626 | 19/20 | 1.00 |
| ▸ | EGFR known ✓ | P00533 | 19/20 | 1.00 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 1.00 |
| ▸ | SRC | P12931 | 2/20 | 1.00 |
| ▸ | KDR | P35968 | 2/20 | 1.00 |
| ▸ | STK25 | O00506 | 1/20 | 1.00 |
| ▸ | MAP2K7 | O14733 | 1/20 | 1.00 |
| ▸ | CHEK1 | O14757 | 1/20 | 1.00 |
| ▸ | GAK | O14976 | 1/20 | 1.00 |
| ▸ | EPHB6 | O15197 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | MAP3K13 | O43283 | 1/20 | 1.00 |
| ▸ | NUAK1 | O60285 | 1/20 | 1.00 |
| ▸ | STK17B | O94768 | 1/20 | 1.00 |
| ▸ | STK10 | O94804 | 1/20 | 1.00 |
| ▸ | PRKD3 | O94806 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | MAP4K4 | O95819 | 1/20 | 1.00 |
| ▸ | CHEK2 | O96017 | 1/20 | 1.00 |
| ▸ | ABL1 | P00519 | 1/20 | 1.00 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Neratinib SCHEMBL571763 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29376313 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL15163655 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29394766 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29801657 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL571762 | 1.00 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2385159 | 0.97 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL22408867 | 0.97 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2180998 | 0.97 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2385190 | 0.97 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2626353-B1 | Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof | WYETH LLC (US) | 2016-11-23 | — | — | EP | claimed |
| EP-2537843-B1 | Preparation of maleate salt of neratininb | WYETH LLC (US) | 2016-09-14 | — | — | EP | claimed |
| EP-2617719-B1 | Maleate salts of (e)-n-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof | WYETH LLC (US) | 2016-05-11 | — | — | EP | claimed |
| EP-2626353-A1 | Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof | Wyeth LLC (US) | 2013-08-14 | — | — | EP | claimed |
| EP-2626353-B1 | Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof | WYETH LLC (US) | 2016-11-23 | — | — | EP | disclosed |