SCHEMBL23048730

SCHEMBL23048730

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)c3ccnc(C4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.64
GSK3B P49841 13/20 0.64
WNT1 P04628 12/20 0.62
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49

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
SCHEMBL19546571 0.90 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916418 0.86 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048782 0.85 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048851 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916457 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916481 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048929 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048932 0.81 DYRK1A (0.66) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048621 0.81 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916374 0.81 DYRK1A (0.64) 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 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
EP-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 EP disclosed