EGFR tyrosine kinase inhibitor series

EGFR TKIRefresh recommended

Quinazoline / aminopyrimidine core to 1st-gen drugs and 3rd-gen osimertinib (Tagrisso) with resistance mutations.

Mechanism · EGFR TKI BioMoa · EGFR TKI 프로그램 BioMoa bridge · shared ID

Last analysis: 7/20/2026, 2:07:49 AM · 2 weeks cadence · refresh on /analyze · refresh recommended

Data sources: Catalog seed · PubChem · ChEMBL · ClinicalTrials.gov · FDA/EMA
Last updated: 7/20/2026, 2:07:49 AM
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 6
Exploratory nodes: 4
Abstract scaffolds: 1
Relationship types: Derived (curated) · Drug-class link · Fingerprint similarity

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

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Name, 2D structure, SMILES, role, parent, core similarity, and traits. Click a row for details.

Compound	Role	SMILES	Parent	Core sim.	Traits
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%i	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%i	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%i	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%i	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%i	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%i	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%i	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%i	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%i	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%i	metabolite · Active or major metabolite. Derived analog of parent node in EGFR tyrosine kinase inhibito…

Name	Role	Derived from	Sim. to core	Relations	Tags
4-Anilinoquinazoline EGFR coreAbstract pharmacophore	Scaffold	—	—	derived_from: Osimertinib (Tagrisso) · derived_from: Gefitinib (Iressa) · derived_from: Erlotinib (Tarceva) · derived_from: EGFR SAR analog (acrylamide branch) · derived_from: Afatinib (Gilotrif) · derived_from: Dacomitinib (Vizimpro) · derived_from: Lazertinib (Lazcluze) · similar_to: Gefitinib (Iressa) · similar_to: Osimertinib active metabolite (AZ7550) · similar_to: Afatinib (Gilotrif) · similar_to: EGFR SAR analog (acrylamide branch) · similar_to: Dacomitinib (Vizimpro) · similar_to: Lazertinib (Lazcluze) · similar_to: EGFR morpholine SAR analog · similar_to: Osimertinib (Tagrisso) · similar_to: Erlotinib (Tarceva) · similar_to: EGFR C797S-resistance analog	EGFR, TKI, core
Afatinib (Gilotrif)Verified drug	Drug	4-Anilinoquinazoline EGFR core	6%i	related_drug: Dacomitinib (Vizimpro) · derived_from: 4-Anilinoquinazoline EGFR core · similar_to: Osimertinib (Tagrisso) · similar_to: Dacomitinib (Vizimpro) · similar_to: 4-Anilinoquinazoline EGFR core	approved, EGFR, irreversible
Dacomitinib (Vizimpro)Verified drug	Drug	4-Anilinoquinazoline EGFR core	6%i	related_drug: Afatinib (Gilotrif) · derived_from: 4-Anilinoquinazoline EGFR core · similar_to: Afatinib (Gilotrif) · similar_to: 4-Anilinoquinazoline EGFR core	approved, EGFR
EGFR C797S-resistance analogExploratory analog (rule-generated)	Derivative	Osimertinib (Tagrisso)	16%i	derived_from: Osimertinib (Tagrisso) · related_drug: Lazertinib (Lazcluze) · similar_to: 4-Anilinoquinazoline EGFR core · similar_to: Osimertinib active metabolite (AZ7550) · similar_to: Osimertinib (Tagrisso)	SAR, C797S, resistance
EGFR SAR analog (acrylamide branch)Exploratory analog (rule-generated)	Derivative	4-Anilinoquinazoline EGFR core	9%i	derived_from: 4-Anilinoquinazoline EGFR core · similar_to: EGFR morpholine SAR analog · similar_to: Erlotinib (Tarceva) · similar_to: 4-Anilinoquinazoline EGFR core · similar_to: Gefitinib (Iressa)	SAR, covalent branch
EGFR morpholine SAR analogExploratory analog (rule-generated)	Derivative	Gefitinib (Iressa)	10%i	derived_from: Gefitinib (Iressa) · similar_to: Gefitinib (Iressa) · similar_to: EGFR SAR analog (acrylamide branch) · similar_to: 4-Anilinoquinazoline EGFR core	SAR
Erlotinib (Tarceva)Verified drug	Drug	4-Anilinoquinazoline EGFR core	9%i	derived_from: 4-Anilinoquinazoline EGFR core · similar_to: Gefitinib (Iressa) · related_drug: Gefitinib (Iressa) · similar_to: EGFR SAR analog (acrylamide branch) · similar_to: 4-Anilinoquinazoline EGFR core	approved, EGFR, 1st-gen
Gefitinib (Iressa)Verified drug	Drug	4-Anilinoquinazoline EGFR core	12%i	derived_from: 4-Anilinoquinazoline EGFR core · derived_from: EGFR morpholine SAR analog · similar_to: Erlotinib (Tarceva) · similar_to: Osimertinib (Tagrisso) · related_drug: Erlotinib (Tarceva) · related_drug: Osimertinib (Tagrisso) · similar_to: EGFR morpholine SAR analog · similar_to: 4-Anilinoquinazoline EGFR core · similar_to: EGFR SAR analog (acrylamide branch)	approved, EGFR, 1st-gen
Lazertinib (Lazcluze)Verified drug	Drug	4-Anilinoquinazoline EGFR core	14%i	derived_from: 4-Anilinoquinazoline EGFR core · related_drug: Osimertinib (Tagrisso) · similar_to: 4-Anilinoquinazoline EGFR core · related_drug: EGFR C797S-resistance analog	approved, EGFR, 3rd-gen
Osimertinib (Tagrisso)Verified drug	Drug	4-Anilinoquinazoline EGFR core	16%i	derived_from: 4-Anilinoquinazoline EGFR core · similar_to: Gefitinib (Iressa) · related_drug: Gefitinib (Iressa) · related_drug: Lazertinib (Lazcluze) · similar_to: Afatinib (Gilotrif) · derived_from: Osimertinib active metabolite (AZ7550) · related_drug: Osimertinib active metabolite (AZ7550) · similar_to: 4-Anilinoquinazoline EGFR core · similar_to: Osimertinib active metabolite (AZ7550) · derived_from: EGFR C797S-resistance analog · similar_to: EGFR C797S-resistance analog	approved, EGFR, 3rd-gen, T790M
Osimertinib active metabolite (AZ7550)Exploratory analog	Derivative	Osimertinib (Tagrisso)	16%i	derived_from: Osimertinib (Tagrisso) · related_drug: Osimertinib (Tagrisso) · similar_to: 4-Anilinoquinazoline EGFR core · similar_to: Osimertinib (Tagrisso) · similar_to: EGFR C797S-resistance analog	metabolite

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Clinical · regulatory context

EGFR TKI — 세대 진화

1–3세대 TKI. Osimertinib이 T790M/sensitizing 표준.

Approved/clinical labels here come from the catalog clinical overlay. Agency names are shown when curated; live FDA/EMA APIs are not called.

OsimertinibApprovedFDA/EMA
EGFR-mutant NSCLC
ClinicalTrials.gov

Program and pipeline notes live on BioMoa · egfr · StructureMoa ↔ BioMoa bridge