BCR-ABL TKI chemical series

BCR-ABL TKIRefresh recommended

Phenylaminopyrimidine core to imatinib, nilotinib, dasatinib, ponatinib.

Mechanism · BCR-ABL TKI BioMoa · BCR-ABL TKI BioMoa bridge · shared ID

Last analysis: 7/20/2026, 2:06:33 AM · 2 weeks cadence · refresh on /analyze · refresh recommended

Data sources: Catalog seed · PubChem · ChEMBL
Last updated: 7/20/2026, 2:06:33 AM
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 5
Exploratory nodes: 1
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.

Spider Web · Flow · Structure table · Compare · SMILES map

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

Compound	Role	SMILES	Parent	Core sim.	Traits
Phenylaminopyrimidine kinase coreAbstract pharmacophorephenylaminopyrimidine-corePage	Scaffold	`Nc1ncnc2ccccc12`	—	—	BCR-ABL · core · Shared pharmacophore / core scaffold. Anchor for the BCR-ABL TKI chemical series lineage.
Asciminib (Scemblix)Verified drugasciminibPage	Drug	`CC1=CC(=CC(=C1)C2=NC(=NC3=CC=CC=C32)NC4=CC…`	Phenylaminopyrimidine kinase core	16%i	approved · STAMP · Approved therapeutic. Asciminib (Scemblix) in this family map.
Dasatinib (Sprycel)Verified drugdasatinibPage	Drug	`CC1=NC(=NC(=N1)NC2=NC(=CC(=N2)C3=CC(=C(C=C…`	Phenylaminopyrimidine kinase core	8%i	approved · multi-kinase · Approved therapeutic. Dasatinib (Sprycel) in this family map. · CHEMBL1421 · CID 3062316
Imatinib (Gleevec)Verified drugimatinibPage	Drug	`CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(C…`	Phenylaminopyrimidine kinase core	8%i	approved · CML · Approved therapeutic. Imatinib (Gleevec) in this family map. · CHEMBL941 · CID 5291
Nilotinib (Tasigna)Verified drugnilotinibPage	Drug	`CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(…`	Phenylaminopyrimidine kinase core	7%i	approved · CML · Approved therapeutic. Nilotinib (Tasigna) in this family map. · CHEMBL255863 · CID 644241
Ponatinib (Iclusig)Verified drugponatinibPage	Drug	`CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C…`	Phenylaminopyrimidine kinase core	10%i	approved · T315I · Approved therapeutic. Ponatinib (Iclusig) in this family map.
BCR-ABL SAR methyl analogExploratory analog (rule-generated)bcr-sar-methylPage	Derivative	`CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(C…`	Imatinib (Gleevec)	6%i	SAR · SAR exploration node. Derived analog of parent node in BCR-ABL TKI chemical series.

From the core chemical, derivatives, drugs, and payloads fan out. Dashed orange chords are drug–drug links (spider web).

Loading map…