SCHEMBL23741019

SCHEMBL23741019

CN(N)/C(=C\N)c1ccc2cnc(NC(=O)C3CCNC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.52
GSK3B P49841 19/20 0.52
WNT1 P04628 11/20 0.52
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47

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
SCHEMBL23741024 0.95 GSK3B (0.55) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219028 0.89 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740820 0.88 GSK3B (0.52) DYRK1AGSK3BWNT1
SCHEMBL23741020 0.86 DYRK1A (0.59) DYRK1AGSK3BWNT1
SCHEMBL23741143 0.85 DYRK1A (0.48) DYRK1AGSK3BWNT1
SCHEMBL23740986 0.84 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL24219190 0.83 DYRK1A (0.41) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741149 0.83 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740812 0.83 DYRK1A (0.54) DYRK1AGSK3BWNT1
SCHEMBL23740732 0.83 ABL1 (0.51) 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-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed