SCHEMBL23740935

SCHEMBL23740935

CN(N)/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
SCHEMBL23741592 0.99 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23740826 0.92 DYRK1A (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741069 0.91 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23740874 0.90 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740784 0.89 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL20938718 0.89 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL24219522 0.88 GSK3B (0.43) GSK3BDYRK1AWNT1
SCHEMBL23740802 0.87 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741167 0.87 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL23741001 0.85 GSK3B (0.57) 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