SCHEMBL29644368

SCHEMBL29644368

O=C1NCCc2c(Br)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 1.00
PARP11 Q9NR21 6/20 1.00
PIM1 P11309 1/20 0.68
CSNK1A1 P48729 1/20 0.68
CDK5 Q00535 1/20 0.68
ROCK1 Q13464 1/20 0.68
DYRK1A Q13627 1/20 0.68
LRRK2 Q5S007 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
DYRK1B Q9Y463 1/20 0.68
PARP1 P09874 14/20 0.64
PDPK1 O15530 1/20 0.52
ACHE P22303 1/20 0.50

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
SCHEMBL2999788 1.00 PARP10 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL19643333 0.89 PARP10 (0.81) PARP10PARP11PIM1CSNK1A1CDK5
Toluene SCHEMBL29027038 0.89 PARP10 (0.79) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL1333810 0.81 CLK4 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL831538 0.78 PARP1 (1.00) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL797996 0.78 PARP1 (0.64) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL7581623 0.78 PARP1 (1.00) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL6421827 0.78 PARP1 (0.64) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL8118685 0.78 PARP1 (0.64) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL830807 0.78 PARP1 (1.00) PARP10PARP11PIM1CSNK1A1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558483-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
CN-113939288-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-04-25 CN disclosed
CN-115397412-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-03-25 CN disclosed
CN-119546576-A Novel isoquinolinones pyrrolo-pyridones and thieno pyridone sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed
CN-114507181-B Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
WO-2024017856-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
CN-117242073-A PRMT5 inhibitors and uses thereof 海思科医药集团股份有限公司 2023-12-15 CN disclosed
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 CN disclosed
CN-115397412-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2022-11-25 CN disclosed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
CN-114507181-A Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN disclosed