Ibrutinib

Ibrutinib

SCHEMBL201859

C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BTK

The experimentally established mechanism targets of Ibrutinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK known ✓ Q06187 14/20 1.00
EGFR P00533 9/20 1.00
BMX P51813 5/20 1.00
ITK Q08881 4/20 1.00
TEC P42680 3/20 1.00
HCK P08631 3/20 1.00
SRC P12931 3/20 1.00
BLK P51451 3/20 1.00
TXK P42681 2/20 1.00
LYN P07948 2/20 1.00
FGFR2 P21802 2/20 1.00
NUDT5 Q9UKK9 2/20 1.00
JAK3 P52333 2/20 1.00
RIPK2 O43353 1/20 1.00
NR1I2 O75469 1/20 1.00
SLC22A3 O75751 1/20 1.00
LATS1 O95835 1/20 1.00
NUDT14 O95848 1/20 1.00
ABL1 P00519 1/20 1.00
ERBB2 P04626 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ibrutinib SCHEMBL201641 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL2244870 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL201642 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL2244865 1.00 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL21428758 0.98 BTK (0.95) BTKEGFRBMXITKTEC
SCHEMBL200391 0.95 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL200392 0.95 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL201548 0.95 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL16887867 0.95 BTK (0.93) BTKEGFRBMXITKTEC
SCHEMBL1613606 0.93 EGFR (0.90) BTKEGFRBMXITKTEC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 9552 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122075716-A Medicine for treating tumor by combining recombinant oncolytic virus and small-molecule anticancer medicine 2026-05-26 CN claimed
WO-2026090174-A1 COMPOSITIONS FOR TARGETED DELIVERY OF THERAPEUTIC AGENTS AND METHODS FOR THE SYNTHESIS AND USE THEREOF BRYET US, INC. (US) 2026-04-30 WO claimed
EP-4727596-A2 ANTIBODY-DRUG CONJUGATES AND LINKERS AND METHODS OF USE THEREOF Ohio State Innovation Foundation (US) 2026-04-22 EP claimed
EP-4729054-A1 CRYSTALLINE FORMS OF A BRUTON'S TYROSINE KINASE INHIBITOR Pharmacyclics LLC (US) 2026-04-22 EP claimed
EP-3856206-B1 METHODS AND COMPOSITIONS FOR THE EXPANSION AND USE OF ALLOGENEIC GAMMA/DELTA-T CELLS PHOSPHOGAM INC (US) 2026-04-22 EP claimed
EP-4531856-B1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK ABELLO AS (DK) 2026-04-22 EP claimed
US-20260102468-A1 COMPOSITIONS AND METHODS FOR MARCO INHIBITION AND IMPROVED DRUG DELIVERY UNIV TEXAS (US) 2026-04-16 US claimed
EP-4724503-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCERS THROUGH INHIBITION OF CELL-IN-CELL PHENOMENON Institute For Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center (US) 2026-04-15 EP claimed
EP-4203942-B1 IBRUTINIB FOR USE IN TREATING COCAINE USE DISORDER AND RELATED CONDITIONS UNIV EMORY (US) 2026-04-15 EP claimed
EP-3897587-B1 PHARMACEUTICAL COMPOSITION COMPRISING IBRUTINIB SYNTHON BV (NL) 2026-04-15 EP claimed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US claimed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US claimed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US claimed
EP-2081435-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2009-07-29 EP claimed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US claimed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US claimed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US claimed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 US claimed
WO-2008039218-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-04-03 WO claimed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US claimed