SCHEMBL23740895

SCHEMBL23740895

CN/C=C(\C=N)c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.57
DYRK1A Q13627 20/20 0.57
WNT1 P04628 15/20 0.57

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
SCHEMBL23740840 0.90 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740934 0.86 GSK3B (0.56) GSK3BDYRK1AWNT1
SCHEMBL24219105 0.84 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23740987 0.82 DYRK1A (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741009 0.82 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL24218957 0.81 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL23740742 0.80 GSK3B (0.53) GSK3BDYRK1AWNT1
SCHEMBL24219167 0.79 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL20968495 0.79 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23740788 0.78 GSK3B (0.58) 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