SCHEMBL30005285

SCHEMBL30005285

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCNC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.70
DYRK1A Q13627 19/20 0.70
WNT1 P04628 9/20 0.70
CLK2 P49760 1/20 0.58
CLK3 P49761 1/20 0.58
USP30 Q70CQ3 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
SCHEMBL19516186 1.00 GSK3B (0.70) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516187 1.00 GSK3B (0.70) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516327 0.90 GSK3B (0.67) GSK3BDYRK1AWNT1USP30
SCHEMBL19516204 0.90 GSK3B (0.70) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515815 0.88 GSK3B (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL30004923 0.85 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515255 0.85 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515254 0.85 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515749 0.83 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19544165 0.83 GSK3B (0.67) GSK3BDYRK1AWNT1USP30

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