SCHEMBL23916732

SCHEMBL23916732

C/C=C(\Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cncc(CC2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.61
DYRK1A Q13627 20/20 0.61
WNT1 P04628 13/20 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
SCHEMBL19546752 0.89 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL19546592 0.82 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL20030392 0.81 GSK3B (0.72) GSK3BDYRK1AWNT1
SCHEMBL19546742 0.81 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL30006280 0.77 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515903 0.77 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL23916584 0.76 DYRK1A (0.61) GSK3BDYRK1AWNT1
SCHEMBL23916828 0.75 DYRK1A (0.61) GSK3BDYRK1AWNT1
SCHEMBL24219514 0.75 GSK3B (0.81) GSK3BDYRK1AWNT1
SCHEMBL23916600 0.75 DYRK1A (0.77) 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