Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 17/20 | 0.74 |
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.74 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.74 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.74 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.74 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.74 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.74 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.74 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.74 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.74 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.74 |
| ▸ | GAK | O14976 | 4/20 | 0.74 |
| ▸ | ILK | Q13418 | 2/20 | 0.74 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.74 |
| ▸ | BUB1 | O43683 | 2/20 | 0.74 |
| ▸ | STK10 | O94804 | 2/20 | 0.74 |
| ▸ | LCK | P06239 | 2/20 | 0.74 |
| ▸ | LYN | P07948 | 2/20 | 0.74 |
| ▸ | RET | P07949 | 2/20 | 0.74 |
| ▸ | SRC | P12931 | 2/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286651 | 0.94 | EGFR (0.83) | EGFRERBB2GAKILKRIPK2 | |
| Hydrochloric Acid SCHEMBL465281 | 0.93 | EGFR (0.83) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL33835 | 0.92 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL4484316 | 0.91 | EGFR (0.87) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL482649 | 0.90 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL2036692 | 0.89 | EGFR (0.87) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL28576829 | 0.86 | EGFR (0.98) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL29120903 | 0.85 | EGFR (0.96) | EGFRERBB2GAKILKRIPK2 | |
| SCHEMBL20866205 | 0.85 | EGFR (0.84) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL3667407 | 0.85 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011068404-A2 | ADMINISTRATION OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2- METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE SALT BY INHALATION | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-06-09 | — | — | WO | claimed |
| WO-2011068404-A3 | ADMINISTRATION OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2- METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE SALT BY INHALATION | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2012-04-05 | — | — | WO | disclosed |
| WO-2011068404-A2 | ADMINISTRATION OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2- METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE SALT BY INHALATION | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-06-09 | — | — | WO | disclosed |
| WO-2011068404-A2 | ADMINISTRATION OF N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2- METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE SALT BY INHALATION | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-06-09 | — | — | WO | disclosed |
| WO-2008034920-A1 | METHOD FOR EXTRACTING SUBSTANCES WITH ANTINEOPLASIC ACTIVITY FROM THE CEROPEGIA FUSCA PLANT, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LUCIANO REVERÓN E HIJOS S. L. (ES) | 2008-03-27 | — | — | WO | disclosed |
| EP-1044969-B1 | Processes and intermediates for preparing anti-cancer compounds | PFIZER PROD INC (US) | 2006-12-13 | — | — | EP | disclosed |
| US-6706721-B1 | TREATING HYPERPROLIFERATIVE DISORDERS, SUCH AS CANCER, BY ADMINISTERING ERLOTINIB MESYLATE, AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR | OSI PHARMACEUTICALS, INC. | 2004-03-16 | — | — | US | disclosed |
| US-6476040-B1 | Processes and intermediates for preparing anti-cancer compounds | PFIZER INC. | 2002-11-05 | — | — | US | disclosed |
| EP-1044969-A2 | Processes and intermediates for preparing anti-cancer compounds | Pfizer Products Inc. (US) | 2000-10-18 | — | — | EP | disclosed |