SCHEMBL30005368

SCHEMBL30005368

O=C(Nc1cc2cc(Br)ccc2cn1)[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.75
GSK3B P49841 8/20 0.66
DYRK1A Q13627 8/20 0.66
WNT1 P04628 6/20 0.66
CLK2 P49760 1/20 0.54
CLK3 P49761 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54

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
SCHEMBL19516034 1.00 ABL1 (0.75) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL19544275 1.00 ABL1 (0.75) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL19516033 1.00 ABL1 (0.75) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL20946112 0.91 ABL1 (0.89) ABL1GSK3BDYRK1AWNT1JAK2
SCHEMBL30425762 0.91 ABL1 (0.89) ABL1GSK3BDYRK1AWNT1JAK2
SCHEMBL30005555 0.86 ABL1 (0.76) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL19516307 0.86 ABL1 (0.76) ABL1GSK3BDYRK1AWNT1CLK2
SCHEMBL9938850 0.86 ABL1 (1.00) ABL1
SCHEMBL19516243 0.85 ABL1 (0.79) ABL1GSK3BDYRK1AWNT1JAK2
SCHEMBL19516245 0.85 ABL1 (0.79) ABL1GSK3BDYRK1AWNT1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN disclosed