CDK4/6 inhibitor chemical series

CDK4/6 inhibitorRefresh recommended

Pyrrolopyrimidine core to palbociclib, ribociclib, abemaciclib and derivatives.

Mechanism · CDK4/6 inhibitor BioMoa · CDK4/6 inhibitor BioMoa bridge · shared ID

Last analysis: 7/20/2026, 2:06:51 AM · 2 weeks cadence · refresh on /analyze · refresh recommended

Data sources: Catalog seed · PubChem · ChEMBL
Last updated: 7/20/2026, 2:06:51 AM
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 3
Exploratory nodes: 2
Abstract scaffolds: 1
Relationship types: Derived (curated) · Fingerprint similarity · Drug-class link

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
Pyrrolopyrimidine CDK4/6 coreAbstract pharmacophorepyrrolopyrimidine-cdk-corePage	Scaffold	`c1cc2c(ncnc2nc1N)N`	—	—	CDK4/6 · core · Shared pharmacophore / core scaffold. Anchor for the CDK4/6 inhibitor chemical series line…
Abemaciclib (Verzenio)Verified drugabemaciclibPage	Drug	`CC1=CC(=CC=C1)C2=CN=C(N3CCN(CC3)CC4=CC=C(C…`	Pyrrolopyrimidine CDK4/6 core	7%i	approved · CDK4/6 · Approved therapeutic. Abemaciclib (Verzenio) in this family map. · CHEMBL3301612 · CID 46220502
Palbociclib (Ibrance)Verified drugpalbociclibPage	Drug	`CC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3)N(C)C)N=C…`	Pyrrolopyrimidine CDK4/6 core	14%i	approved · CDK4/6 · CDK4/6 inhibitor combined with endocrine therapy. · CHEMBL189963 · CID 5330286
Ribociclib (Kisqali)Verified drugribociclibPage	Drug	`COc1cccc(N2CCN(CC2)c3nc(-c4cn(C)c5ncnc(N)c…`	Pyrrolopyrimidine CDK4/6 core	—	approved · CDK4/6 · Approved therapeutic. Ribociclib (Kisqali) in this family map. · CHEMBL3545110 · CID 44631912
CDK amide-extended analogExploratory analog (rule-generated)cdk-sar-amidePage	Derivative	`CC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3)N(C)C)N=C…`	CDK SAR piperazine analog	13%i	SAR · ADME · SAR exploration node. Derived analog of parent node in CDK4/6 inhibitor chemical series.
CDK SAR piperazine analogExploratory analog (rule-generated)cdk-sar-piperazinePage	Derivative	`CC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3)N(C)C)N=C…`	Palbociclib (Ibrance)	14%i	SAR · SAR exploration node. Derived analog of parent node in CDK4/6 inhibitor chemical series.

Core → SAR → final drug/ADC development path.

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