SCHEMBL23916355

SCHEMBL23916355

C=C(Nc1cc2cc(-c3cn(C)nn3)ccc2cn1)c1cccc(CN2CCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.63
DYRK1A Q13627 20/20 0.63
WNT1 P04628 15/20 0.63
CLK2 P49760 1/20 0.55
CLK3 P49761 1/20 0.55

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
SCHEMBL19540399 0.90 GSK3B (0.77) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546744 0.87 WNT1 (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546925 0.83 DYRK1A (0.65) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916284 0.82 GSK3B (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916917 0.82 GSK3B (0.63) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546558 0.81 DYRK1A (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546650 0.81 GSK3B (0.82) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916677 0.80 DYRK1A (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916156 0.80 DYRK1A (0.55) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916682 0.78 DYRK1A (0.53) 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