SCHEMBL19546752

SCHEMBL19546752

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.62
DYRK1A Q13627 20/20 0.62
WNT1 P04628 12/20 0.62

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
SCHEMBL19546592 0.91 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL19546742 0.90 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23916732 0.89 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL19547057 0.84 DYRK1A (0.82) GSK3BDYRK1AWNT1
SCHEMBL20030392 0.82 GSK3B (0.72) GSK3BDYRK1AWNT1
SCHEMBL19546743 0.81 DYRK1A (0.64) GSK3BDYRK1AWNT1
SCHEMBL23916048 0.81 DYRK1A (0.61) GSK3BDYRK1AWNT1
SCHEMBL23916060 0.81 DYRK1A (0.62) GSK3BDYRK1AWNT1
SCHEMBL23916242 0.81 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL24219514 0.80 GSK3B (0.81) 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 2 patents. 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
WO-2017189829-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2017-11-02 WO disclosed