SCHEMBL30004572

SCHEMBL30004572

O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.74
DYRK1A Q13627 20/20 0.74
WNT1 P04628 17/20 0.74
CLK2 P49760 1/20 0.57

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
SCHEMBL23740850 1.00 GSK3B (0.74) GSK3BDYRK1AWNT1CLK2
SCHEMBL19515464 1.00 GSK3B (0.74) GSK3BDYRK1AWNT1CLK2
SCHEMBL19515462 1.00 GSK3B (0.74) GSK3BDYRK1AWNT1CLK2
SCHEMBL19515494 0.93 GSK3B (0.84) GSK3BDYRK1AWNT1CLK2
SCHEMBL30004871 0.89 GSK3B (0.84) GSK3BDYRK1AWNT1CLK2
SCHEMBL19516069 0.89 GSK3B (0.84) GSK3BDYRK1AWNT1CLK2
SCHEMBL20951272 0.87 DYRK1A (0.67) GSK3BDYRK1AWNT1CLK2
SCHEMBL20951274 0.87 DYRK1A (0.67) GSK3BDYRK1AWNT1CLK2
SCHEMBL20950161 0.87 DYRK1A (0.57) GSK3BDYRK1AWNT1CLK2
SCHEMBL20950160 0.87 DYRK1A (0.57) GSK3BDYRK1AWNT1CLK2

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