SCHEMBL30004474

SCHEMBL30004474

O=C(CC1CNCCO1)Nc1cc2cc(-c3cncs3)ccc2cn1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.69
DYRK1A Q13627 20/20 0.69
WNT1 P04628 19/20 0.69
CLK2 P49760 2/20 0.52
CLK3 P49761 1/20 0.52

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
SCHEMBL19516467 1.00 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23741105 0.89 GSK3B (0.57) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL28895344 0.86 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28895289 0.83 GSK3B (0.59) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515643 0.83 GSK3B (0.72) GSK3BDYRK1AWNT1
SCHEMBL19515192 0.82 GSK3B (0.73) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515466 0.82 GSK3B (0.74) GSK3BDYRK1AWNT1
SCHEMBL19516224 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL30005229 0.82 GSK3B (0.73) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740993 0.82 WNT1 (0.67) 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