SCHEMBL23916589

SCHEMBL23916589

C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1cccc(CC2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.57
DYRK1A Q13627 20/20 0.57
WNT1 P04628 14/20 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
SCHEMBL23916590 0.92 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23916597 0.87 DYRK1A (0.55) GSK3BDYRK1AWNT1
SCHEMBL23916146 0.87 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL19546742 0.86 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23916284 0.83 GSK3B (0.81) GSK3BDYRK1AWNT1
SCHEMBL23916593 0.83 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23916242 0.82 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL23048835 0.80 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL24219656 0.80 GSK3B (0.70) GSK3BDYRK1AWNT1
SCHEMBL23916657 0.80 GSK3B (0.60) 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
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed