SCHEMBL23916397

SCHEMBL23916397

CC(Nc1cc2cc(-c3cnn(C)c3CN3CCOCC3)ccc2cn1)c1cccc(CN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.61
DYRK1A Q13627 20/20 0.61
WNT1 P04628 19/20 0.61
CLK2 P49760 5/20 0.61
CLK3 P49761 5/20 0.61

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
SCHEMBL23916398 0.82 GSK3B (0.74) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19540366 0.82 GSK3B (0.90) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23048573 0.80 GSK3B (0.65) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916881 0.78 GSK3B (0.52) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916466 0.78 DYRK1A (0.51) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515532 0.77 GSK3B (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740963 0.77 GSK3B (0.71) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23048860 0.77 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515552 0.77 GSK3B (0.73) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515549 0.77 GSK3B (0.73) GSK3BDYRK1AWNT1CLK2CLK3

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed