SCHEMBL30004742

SCHEMBL30004742

C[C@H]1CN(CC(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)CCO1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.73
DYRK1A Q13627 20/20 0.73
WNT1 P04628 14/20 0.73

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
SCHEMBL19515989 1.00 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19515988 1.00 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19515890 0.88 GSK3B (0.82) GSK3BDYRK1AWNT1
SCHEMBL30004821 0.86 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19516080 0.86 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19516077 0.86 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19544137 0.85 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL30004556 0.85 GSK3B (0.75) GSK3BDYRK1AWNT1
SCHEMBL19515284 0.85 GSK3B (0.75) GSK3BDYRK1AWNT1
SCHEMBL30004535 0.85 GSK3B (0.75) 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