SCHEMBL23916218

SCHEMBL23916218

C=C(Nc1cc2cc(/C(C=N)=C/NC)ccc2cn1)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.39
GSK3B P49841 14/20 0.39
WNT1 P04628 11/20 0.39
CLK2 P49760 4/20 0.37
CLK3 P49761 3/20 0.37
ABL1 P00519 3/20 0.36
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
RPS6KB1 P23443 1/20 0.34
TYK2 P29597 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
WNT3A P56704 1/20 0.32

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
SCHEMBL23048575 0.81 HCAR3 (0.35) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24218960 0.80 USP30 (0.32) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916143 0.78 DYRK1A (0.50) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546597 0.78 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219182 0.77 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740742 0.74 GSK3B (0.53) DYRK1AGSK3BWNT1ABL1
SCHEMBL24219201 0.73 GSK3B (0.47) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL18900168 0.73 ABL1 (0.57) ABL1
SCHEMBL23740895 0.72 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL24219047 0.72 NNMT (0.37) 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