SCHEMBL23741017

SCHEMBL23741017

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.55
DYRK1A Q13627 17/20 0.55
WNT1 P04628 8/20 0.55
ABL1 P00519 3/20 0.48
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47

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
SCHEMBL23740780 0.94 GSK3B (0.53) GSK3BDYRK1AWNT1ABL1
SCHEMBL24219233 0.89 DYRK1A (0.43) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL23740948 0.89 GSK3B (0.59) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741134 0.88 GSK3B (0.56) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741042 0.87 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL23741164 0.87 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740823 0.87 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741160 0.86 ABL1 (0.51) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL23740828 0.85 GSK3B (0.51) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741024 0.84 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1CLK2

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