| 4-Anilinoquinazoline EGFR coreAbstract pharmacophorequinazoline-egfr-corePage | Scaffold | Nc1nc2ccccc2nc1-c1ccccc1 | — | — | EGFR · TKI · core · Shared pharmacophore / core scaffold. Anchor for the EGFR tyrosine kinase inhibitor series… |
| Afatinib (Gilotrif)Verified drugafatinibPage | Drug | CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)N… | 4-Anilinoquinazoline EGFR core | 6%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · irreversible · Approved therapeutic. Afatinib (Gilotrif) in this family map. · CHEMBL1173655 · CID 10184653 |
| Dacomitinib (Vizimpro)Verified drugdacomitinibPage | Drug | COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)C… | 4-Anilinoquinazoline EGFR core | 6%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · Approved therapeutic. Dacomitinib (Vizimpro) in this family map. |
| Erlotinib (Tarceva)Verified drugerlotinibPage | Drug | COCCOC1=C(C=C2C(=C1)NC(=NC2=O)NC3=CC=CC(=C… | 4-Anilinoquinazoline EGFR core | 9%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · 1st-gen · Approved therapeutic. Erlotinib (Tarceva) in this family map. · CHEMBL553 · CID 176870 |
| Gefitinib (Iressa)Verified druggefitinibPage | Drug | COCCOC1=C(C=C2C(=C1)NC(=N2)NC3=CC=CC(=C3)F… | 4-Anilinoquinazoline EGFR core | 12%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · 1st-gen · 1st-gen reversible EGFR TKI (Iressa). · CHEMBL939 · CID 123631 |
| Lazertinib (Lazcluze)Verified druglazertinibPage | Drug | CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)N… | 4-Anilinoquinazoline EGFR core | 14%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · 3rd-gen · Approved therapeutic. Lazertinib (Lazcluze) in this family map. |
| Osimertinib (Tagrisso)Verified drugosimertinibPage | Drug | COC1=C(NC2=NC=CC(=N2)C2=CC=CC=C2)C=C(C=C1)… | 4-Anilinoquinazoline EGFR core | 16%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · EGFR · 3rd-gen · T790M · 3rd-gen EGFR TKI for T790M / sensitizing mutations (Tagrisso). · CHEMBL3353410 · CID 71496458 |
| EGFR C797S-resistance analogExploratory analog (rule-generated)egfr-c797s-analogPage | Derivative | COC1=C(NC2=NC=CC(=N2)C2=CC=CC=C2)C=C(C=C1)… | Osimertinib (Tagrisso) | 16%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | SAR · C797S · resistance · SAR exploration node. Derived analog of parent node in EGFR tyrosine kinase inhibitor seri… |
| EGFR morpholine SAR analogExploratory analog (rule-generated)egfr-sar-morpholinePage | Derivative | COCCOC1=C(C=C2C(=C1)NC(=N2)NC3=CC=CC(=C3)F… | Gefitinib (Iressa) | 10%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | SAR · SAR exploration node. Derived analog of parent node in EGFR tyrosine kinase inhibitor seri… |
| EGFR SAR analog (acrylamide branch)Exploratory analog (rule-generated)egfr-sar-1Page | Derivative | COCCOC1=C(C=C2C(=C1)NC(=N2)NC3=CC=CC(=C3)F… | 4-Anilinoquinazoline EGFR core | 9%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | SAR · covalent branch · SAR exploration node. Derived analog of parent node in EGFR tyrosine kinase inhibitor seri… |
| Osimertinib active metabolite (AZ7550)Exploratory analogosimertinib-metabolitePage | Derivative | COC1=C(NC2=NC=CC(=N2)C2=CC=CC=C2)C=C(C=C1N… | Osimertinib (Tagrisso) | 16%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | metabolite · Active or major metabolite. Derived analog of parent node in EGFR tyrosine kinase inhibito… |