SCHEMBL23740986

SCHEMBL23740986

CN(N)/C(=C\N)c1ccc2cnc(NC(=O)C3CCN(C4CC4)CC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.58
DYRK1A Q13627 20/20 0.58
WNT1 P04628 12/20 0.58

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
SCHEMBL23741020 0.91 DYRK1A (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740732 0.88 ABL1 (0.51) GSK3BDYRK1AWNT1
SCHEMBL23740812 0.88 DYRK1A (0.54) GSK3BDYRK1AWNT1
SCHEMBL23741149 0.88 DYRK1A (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740820 0.88 GSK3B (0.52) GSK3BDYRK1AWNT1
SCHEMBL23741024 0.87 GSK3B (0.55) GSK3BDYRK1AWNT1
SCHEMBL23740765 0.86 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL23740943 0.86 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23741143 0.86 DYRK1A (0.48) GSK3BDYRK1AWNT1
SCHEMBL23740823 0.85 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