SCHEMBL23740780

SCHEMBL23740780

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
DYRK1A Q13627 10/20 0.53
WNT1 P04628 6/20 0.53
ABL1 P00519 9/20 0.52
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL23740948 0.95 GSK3B (0.59) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL23741017 0.94 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741042 0.93 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741134 0.92 GSK3B (0.56) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740823 0.90 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741160 0.90 ABL1 (0.51) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740792 0.89 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL23740828 0.88 GSK3B (0.51) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL24219437 0.88 GSK3B (0.40) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL23740862 0.88 DYRK1A (0.60) 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