SCHEMBL28895452

SCHEMBL28895452

CC(C(=O)Nc1cc2cc(-c3cn(C)nn3)ccc2cn1)C1CNCCO1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.63
DYRK1A Q13627 20/20 0.63
WNT1 P04628 12/20 0.63

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
SCHEMBL28895359 0.87 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28959765 0.83 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL28895388 0.83 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL28895176 0.83 GSK3B (0.54) GSK3BDYRK1AWNT1
SCHEMBL19515185 0.83 GSK3B (0.77) GSK3BDYRK1AWNT1
SCHEMBL28895306 0.82 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL28895296 0.81 GSK3B (0.74) GSK3BDYRK1AWNT1
SCHEMBL19516124 0.78 GSK3B (0.85) GSK3BDYRK1AWNT1
SCHEMBL30005755 0.78 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515347 0.78 GSK3B (1.00) 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