SCHEMBL23740979

SCHEMBL23740979

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=O)CN3CCC[C@H]3C)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.58
DYRK1A Q13627 19/20 0.58
WNT1 P04628 14/20 0.58
MLLT1 Q03111 1/20 0.42

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
SCHEMBL23740978 0.83 GSK3B (0.62) GSK3BDYRK1AWNT1MLLT1
SCHEMBL23740951 0.77 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23741171 0.76 GSK3B (0.60) GSK3BDYRK1AWNT1MLLT1
SCHEMBL23741126 0.76 DYRK1A (0.56) GSK3BDYRK1AWNT1
SCHEMBL24219615 0.75 GSK3B (0.37) GSK3BDYRK1AWNT1
SCHEMBL20938540 0.75 DYRK1A (0.43) GSK3BDYRK1AWNT1
SCHEMBL23741124 0.74 GSK3B (0.51) GSK3BDYRK1AWNT1
SCHEMBL24219746 0.74 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL19515359 0.74 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516070 0.74 GSK3B (1.00) GSK3BDYRK1AWNT1

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