SCHEMBL28895311

SCHEMBL28895311

CC1NCCOC1CC(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.52
DYRK1A Q13627 18/20 0.52
WNT1 P04628 8/20 0.52
USP30 Q70CQ3 1/20 0.51
MAP4K1 Q92918 1/20 0.43
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42

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
SCHEMBL28895356 0.85 WNT1 (0.72) GSK3BDYRK1AWNT1
SCHEMBL28895289 0.84 GSK3B (0.59) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL28895293 0.83 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL28895159 0.83 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL28895238 0.83 DYRK1A (0.60) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL28895330 0.83 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL19515643 0.82 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL558149 0.80 GSK3B (0.57) GSK3BDYRK1AWNT1USP30
SCHEMBL19516165 0.78 GSK3B (0.75) GSK3BDYRK1AWNT1USP30
SCHEMBL20261099 0.78 GSK3B (0.61) GSK3BDYRK1AWNT1USP30MAP4K1

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 claimed