JAK inhibitor chemical series

JAK inhibitorRefresh recommended

Pyrrolopyrimidine JAK hinge core to approved JAK1/2/3 inhibitors.

Mechanism · JAK inhibitor BioMoa · JAK inhibitor BioMoa bridge · shared ID

Last analysis: 7/20/2026, 2:08:37 AM · 2 weeks cadence · refresh on /analyze · refresh recommended

Data sources: Catalog seed
Last updated: 7/20/2026, 2:08:37 AM
Similarity method: Morgan fingerprint, radius 2, 2048 bits, Tanimoto
Verified / known compounds: 5
Exploratory nodes: 0
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.

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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
Pyrrolopyrimidine JAK coreAbstract pharmacophorejak-pyrrolopyrimidine-corePage	Scaffold	`c1cc2c(ncnc2[nH]1)N`	—	—	JAK · core · Shared pharmacophore / core scaffold. Anchor for the JAK inhibitor chemical series lineage…
Baricitinib (Olumiant)Verified drugbaricitinibPage	Drug	`CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(c3c2ncnc3N)c…`	Pyrrolopyrimidine JAK core	17%i	approved · JAK1/2 · Approved therapeutic. Baricitinib (Olumiant) in this family map.
Fedratinib (Inrebic)Verified drugfedratinibPage	Drug	`CC1=CC(=CC(=C1)Nc2nc(Nc3ccc(OCCN4CCCC4)cc3…`	Pyrrolopyrimidine JAK core	10%i	approved · JAK2 · Approved therapeutic. Fedratinib (Inrebic) in this family map.
Ruxolitinib (Jakafi)Verified drugruxolitinibPage	Drug	`N#CC[C@H](C1CCCC1)n2cc(c3c2ncnc3N)c4ccccc4`	Pyrrolopyrimidine JAK core	18%i	approved · JAK1/2 · Approved therapeutic. Ruxolitinib (Jakafi) in this family map.
Tofacitinib (Xeljanz)Verified drugtofacitinibPage	Drug	`C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C…`	Pyrrolopyrimidine JAK core	28%i	approved · JAK1/3 · Approved therapeutic. Tofacitinib (Xeljanz) in this family map.
Upadacitinib (Rinvoq)Verified drugupadacitinibPage	Drug	`C[C@@H]1CCN(C[C@@H]1Nc2ncnc3[nH]ccc23)C(=O…`	Pyrrolopyrimidine JAK core	27%i	approved · JAK1 · Approved therapeutic. Upadacitinib (Rinvoq) in this family map.

Core → SAR → final drug/ADC development path.

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