| BTK pyrazolo-pyrimidine coreAbstract pharmacophorebtk-pyrazolo-corePage | Scaffold | c1ccc2c(c1)ncnc2N | — | — | BTK · core · Shared pharmacophore / core scaffold. Anchor for the BTK inhibitor chemical series lineage… |
| Acalabrutinib (Calquence)Verified drugacalabrutinibPage | Drug | CC#CC(=O)N1CCC[C@H]1c2ncnc3c2ccc(c3)NC(=O)… | BTK pyrazolo-pyrimidine core | 15%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 · BTK · Approved therapeutic. Acalabrutinib (Calquence) in this family map. · CHEMBL3707348 · CID 71226663 |
| Ibrutinib (Imbruvica)Verified drugibrutinibPage | Drug | CC1=CC(=CC(=C1)C2=NC(=NC3=CC=CC=C32)NC4=CC… | BTK pyrazolo-pyrimidine 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 · BTK · covalent · First-in-class covalent BTK inhibitor. · CHEMBL1873475 · CID 24821094 |
| Pirtobrutinib (Jaypirca)Verified drugpirtobrutinibPage | Drug | CC1=CC(=CC(=C1)C2=NC(=NC3=CC=CC=C32)NC4=CC… | BTK pyrazolo-pyrimidine 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 · BTK · non-covalent · Approved therapeutic. Pirtobrutinib (Jaypirca) in this family map. |
| Zanubrutinib (Brukinsa)Verified drugzanubrutinibPage | Drug | C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C… | BTK pyrazolo-pyrimidine core | 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. | approved · BTK · Approved therapeutic. Zanubrutinib (Brukinsa) in this family map. · CID 135565884 |
| BTK butynamide SAR analogExploratory analog (rule-generated)btk-sar-butynamidePage | Derivative | CC#CC(=O)N1CCC[C@H]1c2ncnc3c2ccc(c3)NC(=O)… | Ibrutinib (Imbruvica) | 15%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 BTK inhibitor chemical series. |