SCHEMBL23740883

SCHEMBL23740883

C=C(C)S/C(=C\C(C)C)c1ccc2cnc(NC=O)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.31
GSK3B P49841 1/20 0.31
ABL1 P00519 3/20 0.30
WNT1 P04628 2/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
USP30 Q70CQ3 1/20 0.30
MAPK1 P28482 1/20 0.30
RPS6KA1 Q15418 1/20 0.30

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
SCHEMBL23741046 0.76 DYRK1A (0.32) DYRK1AGSK3BABL1WNT1CLK2
SCHEMBL23740875 0.76 DYRK1A (0.32) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741081 0.75 USP30 (0.35) DYRK1AGSK3BABL1WNT1CLK2
SCHEMBL20938746 0.74 DYRK1A (0.46) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740722 0.72 DYRK1A (0.32) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20938729 0.71 GSK3B (0.44) DYRK1AGSK3BWNT1
SCHEMBL20938505 0.69
SCHEMBL23741148 0.69 HCAR3 (0.36) DYRK1AGSK3BABL1WNT1CLK2
SCHEMBL23740805 0.67 DYRK1A (0.33) DYRK1AGSK3BABL1WNT1CLK2
SCHEMBL24219385 0.66 DYRK1A (0.31) 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