SCHEMBL28599044

SCHEMBL28599044

O=C(Nc1cc(-c2ccc(Br)cc2[N+](=O)[O-])ccn1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.51
▸ ABL1 P00519 1/20 0.48
▸ PIK3C3 Q8NEB9 3/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL28597204 0.87 GSK3B (0.56) GSK3BABL1PIK3C3MAPK8MAPK10
SCHEMBL28598125 0.87 GSK3B (0.51) GSK3BABL1PIK3C3MAPK8MAPK10
SCHEMBL28611097 0.86 GSK3B (0.58) GSK3BMAPK8MAPK10MAPK14
SCHEMBL28606595 0.85 GSK3B (0.54) GSK3BABL1MAPK8MAPK10MAPK14
SCHEMBL28598189 0.85 GSK3B (0.49) GSK3BPIK3C3MAPK8MAPK10MAPK14
SCHEMBL28606578 0.84 ABL1 (0.49) GSK3BABL1PIK3C3
SCHEMBL28599037 0.84 ABL1 (0.52) GSK3BABL1PIK3C3MAPK8MAPK10
SCHEMBL28599038 0.83 GSK3B (0.48) GSK3BPIK3C3MAPK8MAPK10MAPK14
SCHEMBL30081456 0.82 GSK3B (0.52) GSK3BABL1MAPK8MAPK10MAPK14
SCHEMBL28602355 0.82 GSK3B (0.57) GSK3BABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072552-B Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2022-11-04 — — CN disclosed
CN-113072552-A Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2021-07-06 — — CN disclosed
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