SCHEMBL23916089

SCHEMBL23916089

C=C(Nc1cc2cc(-c3cnn(C)c3C)ccc2cn1)c1ccnc(N(C)C2CCN(C)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.62
GSK3B P49841 15/20 0.62
WNT1 P04628 13/20 0.62
CLK2 P49760 5/20 0.59
CLK3 P49761 5/20 0.59

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
SCHEMBL23916679 0.87 GSK3B (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546771 0.86 DYRK1A (0.82) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916281 0.83 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916886 0.83 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546648 0.82 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916648 0.81 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540338 0.81 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219176 0.79 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL23916926 0.79 DYRK1A (0.55) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916243 0.79 DYRK1A (0.68) DYRK1AGSK3BWNT1CLK2CLK3

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