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 | 15/20 | 0.49 |
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.48 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.48 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.48 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.48 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.48 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.48 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.48 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.48 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.48 |
| ▸ | GAK | O14976 | 3/20 | 0.48 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.48 |
| ▸ | BUB1 | O43683 | 2/20 | 0.48 |
| ▸ | STK10 | O94804 | 2/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
| ▸ | LYN | P07948 | 2/20 | 0.48 |
| ▸ | RET | P07949 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493193 | 0.93 | EGFR (0.52) | EGFRERBB2GAKRIPK2BUB1 | |
| SCHEMBL1979453 | 0.93 | EGFR (0.52) | EGFRERBB2GAKRIPK2BUB1 | |
| Hydrochloric Acid SCHEMBL30963337 | 0.92 | EGFR (0.52) | EGFRERBB2GAKRIPK2BUB1 | |
| SCHEMBL16212567 | 0.88 | EGFR (0.46) | EGFRERBB2GAKRIPK2BUB1 | |
| Hydrochloric Acid SCHEMBL2839910 | 0.77 | EGFR (0.38) | EGFRGAKLMNACYP3A4ADORA2A | |
| SCHEMBL642249 | 0.77 | ADORA2A (0.46) | EGFRGAKLMNAABCB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1436789 | 0.77 | EGFR (0.52) | EGFRERBB2GAKRIPK2BUB1 | |
| SCHEMBL3154841 | 0.74 | EGFR (0.48) | EGFRERBB2GAKRIPK2BUB1 | |
| Erlotinib SCHEMBL33835 | 0.73 | EGFR (0.89) | EGFRERBB2GAKRIPK2BUB1 | |
| SCHEMBL1286655 | 0.72 | EGFR (0.74) | EGFRERBB2GAKRIPK2BUB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076652-A1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | Pfizer Products Inc. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055683-A1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | PFIZER PRODUCTS INC. (US) | 1999-11-04 | — | — | WO | disclosed |