SCHEMBL9906374

SCHEMBL9906374

CC(C)c1ncc(Br)s1

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
SCHEMBL25078088 0.84
Hydrochloric Acid SCHEMBL11899483 0.82 SNCA (0.30)
Hydrochloric Acid SCHEMBL1808188 0.82 SNCA (0.30)
SCHEMBL11918410 0.81 TRPM5 (0.33)
SCHEMBL22206922 0.81
SCHEMBL16587873 0.81 TRPM5 (0.33)
SCHEMBL21610561 0.79 ALDH1A1 (0.31)
SCHEMBL765512 0.75
SCHEMBL786399 0.75 CDK2 (0.44)
SCHEMBL14433723 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637754-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2025-10-29 EP disclosed
WO-2024138201-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2024-06-27 WO disclosed
US-20240150365-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. 2024-05-09 US disclosed
WO-2024044344-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2024044344-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2023107673-A2 CLEAVABLE DISULFIDE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2023-06-15 WO disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed