SCHEMBL23740840

SCHEMBL23740840

CN/C=C(\C=N)c1ccc2cnc(NC(=O)CN3CCC(C)CC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.59
DYRK1A Q13627 20/20 0.59
WNT1 P04628 14/20 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
SCHEMBL23740895 0.90 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL24219105 0.85 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL24218957 0.82 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL23740868 0.80 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741009 0.80 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL23741163 0.78 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23740742 0.78 GSK3B (0.53) GSK3BDYRK1AWNT1
SCHEMBL18900168 0.77 ABL1 (0.57)
SCHEMBL24219167 0.77 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL24219182 0.76 DYRK1A (0.51) 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