SCHEMBL14636765

SCHEMBL14636765

O=C([O-])N1CCCC1C1=C2C=NC=C[N+]2(Cl)C(Br)=N1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14630143 0.85
SCHEMBL14637649 0.84
SCHEMBL14636467 0.84
SCHEMBL14636293 0.81
SCHEMBL14637428 0.81
SCHEMBL14635675 0.79
SCHEMBL15913941 0.76
SCHEMBL14636476 0.76
SCHEMBL14637076 0.75
SCHEMBL14636125 0.72

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

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2024-07-04 US disclosed
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 EP disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 EP disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-20230081911-A1 NOVEL PROCESS FOR THE PREPARATION OF ACALABRUTINIB AND ITS INTERMEDIATES NATCO PHARMA LIMITED (IN) 2023-03-16 US disclosed
EP-3179992-B1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA BV (NL) 2022-05-11 EP disclosed
US-20210346382-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2021-11-11 US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 US disclosed
EP-3689878-B1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS MERCK SHARP & DOHME (NL) 2021-10-06 EP disclosed
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-02 US disclosed
US-9290504-B2 4-imidazopyridazin-1-yl-benzamides and 4-imidazotriazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2016-03-22 US disclosed
WO-2016024230-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
WO-2016024228-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
WO-2016024227-A1 BTK INHIBITORS TO TREAT SOLID TUMORS THROUGH MODULATION OF THE TUMOR MICROENVIRONMENT ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
WO-2016024231-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
WO-2016024232-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR AND/OR A CDK 4/6 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 US disclosed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP disclosed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO disclosed