SCHEMBL28895293

SCHEMBL28895293

CC1NCCOC1CC(=O)Nc1cc2cc(-c3cncn3C)ccc2cn1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.62
DYRK1A Q13627 20/20 0.62
WNT1 P04628 12/20 0.62

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
SCHEMBL28895238 0.87 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL28895356 0.86 WNT1 (0.72) GSK3BDYRK1AWNT1
SCHEMBL19515466 0.84 GSK3B (0.74) GSK3BDYRK1AWNT1
SCHEMBL28895159 0.84 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL28895289 0.83 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL28895311 0.83 GSK3B (0.52) GSK3BDYRK1AWNT1
SCHEMBL28895330 0.82 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL19515994 0.81 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL30004742 0.79 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19515988 0.79 GSK3B (0.73) GSK3BDYRK1AWNT1

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