SCHEMBL23741124

SCHEMBL23741124

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=C3CC3)C3CCN(C(=O)c4ccccc4)CC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.51
DYRK1A Q13627 12/20 0.51
WNT1 P04628 8/20 0.51
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
CCNK O75909 4/20 0.39
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
MNAT1 P51948 4/20 0.39
CDK12 Q9NYV4 4/20 0.39
ABL1 P00519 1/20 0.36

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
SCHEMBL20938540 0.76 DYRK1A (0.43) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740951 0.76 GSK3B (0.59) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740979 0.74 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL24219536 0.73 DYRK1A (0.53) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23048907 0.72 DYRK1A (0.64) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23741126 0.72 DYRK1A (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546936 0.71 HCAR3 (0.33) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916298 0.71 DYRK1A (0.42) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23741168 0.70 GSK3B (0.61) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20414845 0.70 GSK3B (0.61) 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