SCHEMBL23916048

SCHEMBL23916048

C=C(Nc1cc2cc(-c3cnn(C(C)C)c3)ccc2cn1)c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.61
GSK3B P49841 19/20 0.61
WNT1 P04628 12/20 0.61
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46

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
SCHEMBL23916242 0.91 DYRK1A (0.60) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546592 0.90 GSK3B (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916729 0.82 DYRK1A (0.60) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916635 0.81 DYRK1A (0.47) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546752 0.81 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL19546742 0.81 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL23916074 0.81 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546743 0.81 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048909 0.80 DYRK1A (0.42) DYRK1AGSK3BWNT1
SCHEMBL23916135 0.79 DYRK1A (0.43) 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