SCHEMBL596389

SCHEMBL596389

O=C(O)C1(Br)C=CC=CN1

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
SCHEMBL4106647 0.80
SCHEMBL8833247 0.71
SCHEMBL2536281 0.70 HSD11B1 (0.35)
SCHEMBL3488485 0.70
SCHEMBL1651477 0.68
SCHEMBL5456313 0.68
SCHEMBL1741742 0.68
SCHEMBL27945172 0.68
SCHEMBL978922 0.68
SCHEMBL28103656 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
CN-116782996-A Tautomeric ligands enable biomimetic C-H hydroxylation under molecular oxygen 斯克里普斯研究学院 2023-09-19 CN disclosed
CN-108699077-B Heterocyclic compounds as RSV inhibitors 英安塔制药有限公司 2021-03-02 CN disclosed
CN-108699077-A Heterocyclic compound as RSV inhibitor 英安塔制药有限公司 2018-10-23 CN disclosed
CN-106432365-A Phosphin ligand and palladium catalyst based on same for alkoxycarbonylation of ethylenically unsaturated compounds 赢创德固赛有限公司 2017-02-22 CN disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006015279-A1 HETEROCYCLIC DIAMINE COMPOUNDS AS LIGANDS OF THE MELANIN CONCENTRATING HORMONE RECEPTOR USEFUL FOR THE TREATMENT OF OBESITY, DIABETES, EATING AND SEXUAL DISORDERS NEUROGEN CORPORATION (US) 2006-02-09 WO disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 US disclosed