SCHEMBL29520198

SCHEMBL29520198

Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
LPL P06858 11/20 0.39
LIPG Q9Y5X9 11/20 0.39
EGFR P00533 2/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SNCA P37840 1/20 0.36
PRKCI P41743 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL13028373 1.00 DYRK1A (0.42) DYRK1AIRAK4LPLLIPGEGFR
SCHEMBL29520345 0.88 GRM5 (0.42) IRAK4LPLLIPG
SCHEMBL13028375 0.88 GRM5 (0.42) IRAK4LPLLIPG
SCHEMBL19836335 0.81 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL15288424 0.81 LPL (0.41) IRAK4LPLLIPGEGFRIDO1
SCHEMBL18130872 0.81 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL30847373 0.81 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL23638475 0.81 MTNR1A (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL29520593 0.81 MTNR1A (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL425116 0.80 L3MBTL1 (0.52) LPLLIPGEGFRIDO1TDO2

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-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
WO-2025016391-A1 THIAZOLE PYRAZINE COMPOUNDS AND USE THEREOF 南京再明医药有限公司 2025-01-23 WO disclosed
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed