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 | 13/20 | 0.61 |
| ▸ | KDR known ✓ | P35968 | 5/20 | 0.60 |
| ▸ | FLT1 known ✓ | P17948 | 3/20 | 0.60 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.60 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.60 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.60 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.60 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.60 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.60 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.60 |
| ▸ | ILK | Q13418 | 3/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.60 |
| ▸ | PLK4 | O00444 | 1/20 | 0.60 |
| ▸ | CIT | O14578 | 1/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.60 |
| ▸ | GAK | O14976 | 1/20 | 0.60 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.60 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736845 | 0.85 | EGFR (0.66) | EGFRILKKDRERBB2FLT1 | |
| SCHEMBL3172507 | 0.85 | EGFR (0.67) | EGFRILKKDRERBB2FLT1 | |
| Hydrochloric Acid SCHEMBL4877663 | 0.84 | EGFR (0.66) | EGFRILKKDRERBB2FLT1 | |
| Erlotinib SCHEMBL33835 | 0.82 | EGFR (0.89) | EGFRILKKDRERBB2FLT1 | |
| Erlotinib SCHEMBL4484316 | 0.81 | EGFR (0.87) | EGFRILKKDRERBB2FLT1 | |
| Erlotinib SCHEMBL482649 | 0.80 | EGFR (0.89) | EGFRILKKDRERBB2FLT1 | |
| Erlotinib SCHEMBL2036692 | 0.79 | EGFR (0.87) | EGFRILKKDRERBB2FLT1 | |
| SCHEMBL845053 | 0.79 | KDR (0.63) | EGFRILKKDRERBB2FLT1 | |
| SCHEMBL1286655 | 0.77 | EGFR (0.74) | EGFRILKKDRERBB2FLT1 | |
| SCHEMBL4116471 | 0.77 | EGFR (0.60) | EGFRILKKDRERBB2FLT1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7521456-B2 | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine mesylate anhydrate and monohydrate | OSI PHARMACEUTICALS, INC. (US) | 2009-04-21 | — | — | US | claimed |