SCHEMBL23741105

SCHEMBL23741105

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.57
DYRK1A Q13627 20/20 0.57
WNT1 P04628 19/20 0.57
CLK2 P49760 3/20 0.48
CLK3 P49761 2/20 0.48

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 0.89 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30004474 0.89 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL28895344 0.76 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28895289 0.74 GSK3B (0.59) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516069 0.73 GSK3B (0.84) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30004871 0.73 GSK3B (0.84) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515838 0.73 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL24219332 0.73 GSK3B (0.77) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30005689 0.73 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23741054 0.72 GSK3B (0.62) 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
EP-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed