SCHEMBL29504768

SCHEMBL29504768

COc1cc(Br)c[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ FFAR4 Q5NUL3 4/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ F2 P00734 3/20 0.35
▸ PRSS1 P07477 3/20 0.35
▸ PRSS2 P07478 3/20 0.35
▸ PRSS3 P35030 3/20 0.35
▸ MMP1 P03956 2/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL1900032 1.00 RAPGEF4 (0.44) RAPGEF4ALDH1A1FFAR4GABRG2GABRB3
SCHEMBL20874147 0.87 RAPGEF4 (0.40) RAPGEF4FFAR4LMNATSHRF2
SCHEMBL21816738 0.86 RAPGEF4 (0.41) RAPGEF4ALDH1A1FFAR4GABRG2GABRB3
SCHEMBL27216120 0.85 RAPGEF4 (0.46) RAPGEF4ALDH1A1FFAR4GABRG2GABRB3
SCHEMBL31153489 0.84 RAPGEF4 (0.38) RAPGEF4ALDH1A1F2PRSS1PRSS2
SCHEMBL29032827 0.84 RAPGEF4 (0.44) RAPGEF4ALDH1A1FFAR4GABRG2GABRB3
SCHEMBL16913904 0.82 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL23320398 0.81 RAPGEF4 (0.35) RAPGEF4FFAR4F2PRSS1PRSS2
SCHEMBL29010579 0.80 MMP13 (0.43) RAPGEF4SMN1; SMN2MMP1MMP13CA1
SCHEMBL25283314 0.80 F2 (0.37) RAPGEF4ALDH1A1LMNATSHRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315824-B Preparation method of 6-bromo-4-methoxypyrazolo [1,5-a ] pyridine-3-carbonitrile 南京药石科技股份有限公司 2025-03-07 — — CN claimed
CN-114315824-A Preparation method of 6-bromo-4-methoxy pyrazolo [1,5-a ] pyridine-3-carbonitrile 南京药石科技股份有限公司 2022-04-12 — — CN claimed
CN-115772170-B Pyrazolo [1,5-a ] pyridine derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2025-05-16 — — CN disclosed
CN-114315824-B Preparation method of 6-bromo-4-methoxypyrazolo [1,5-a ] pyridine-3-carbonitrile 南京药石科技股份有限公司 2025-03-07 — — CN disclosed
CN-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 — — CN disclosed
CN-118319866-A Formulations comprising RET kinase inhibitors 罗索肿瘤学公司 2024-07-12 — — CN disclosed
CN-114380825-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-13 — — CN disclosed
CN-114907338-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-06 — — CN disclosed
CN-111263760-B Method for preparing a compound 奥瑞生物药品公司 2023-06-23 — — CN disclosed
CN-113490670-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2023-06-02 — — CN disclosed
CN-112771043-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2023-04-28 — — CN disclosed
CN-115772170-A Pyrazolo [1,5-a ] pyridine derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2023-03-10 — — CN disclosed
CN-114907338-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-08-16 — — CN disclosed
CN-108349969-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阵列生物制药公司 2022-05-10 — — CN disclosed
CN-114380825-A Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-04-22 — — CN disclosed
CN-114315824-A Preparation method of 6-bromo-4-methoxy pyrazolo [1,5-a ] pyridine-3-carbonitrile 南京药石科技股份有限公司 2022-04-12 — — CN disclosed
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