SCHEMBL21723965

SCHEMBL21723965

C#C[C@H]1CC[C@H](N)CC1

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
SCHEMBL3294632 1.00
Hydrochloric Acid SCHEMBL21774886 0.97
Hydrochloric Acid SCHEMBL21774887 0.97
SCHEMBL26371 0.83
SCHEMBL4950916 0.83
SCHEMBL18019588 0.80 THRB (0.32)
Bromide SCHEMBL6666625 0.76
Hydrochloric Acid SCHEMBL7772637 0.76
Hydrochloric Acid SCHEMBL7772640 0.76
Bromide SCHEMBL6666626 0.76

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423710-B Novel heterocyclic tricyclic derivative compounds and use thereof 韩美药品株式会社 2024-06-14 CN disclosed
CN-112566697-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2024-04-16 CN disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20220135582-A1 NOVEL HETEROTRICYCLIC DERIVATIVE COMPOUND AND USE OF SAME HANMI PHARMACEUTICAL CO., LTD. (KR) 2022-05-05 US disclosed
CN-113423710-A Novel heterocyclic tricyclic derivative compound and use thereof 韩美药品株式会社 2021-09-21 CN disclosed
EP-3837012-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-06-23 EP disclosed
CN-112566697-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-26 CN disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed