SCHEMBL23740951

SCHEMBL23740951

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=O)C3CCN(CC(C)C)CC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.59
DYRK1A Q13627 20/20 0.59
WNT1 P04628 15/20 0.59
DYRK3 O43781 1/20 0.59
CLK1 P49759 1/20 0.59
CLK2 P49760 1/20 0.59
CLK3 P49761 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
DYRK2 Q92630 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
DYRK4 Q9NR20 1/20 0.59
DYRK1B Q9Y463 1/20 0.59

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
SCHEMBL23740922 0.81 GSK3B (0.63) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL24219536 0.79 DYRK1A (0.53) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL23741226 0.79 GSK3B (0.64) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL23740920 0.78 GSK3B (0.61) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL23741126 0.78 DYRK1A (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740979 0.77 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741058 0.76 GSK3B (0.61) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL23740765 0.76 GSK3B (0.61) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL24219615 0.75 GSK3B (0.37) GSK3BDYRK1AWNT1
SCHEMBL20938540 0.75 DYRK1A (0.43) GSK3BDYRK1AWNT1CLK2CLK3

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