SCHEMBL20938515

SCHEMBL20938515

CC(=N)SC(=N)c1ccc2cnc(NC(=O)N3CC[C@H](N(C)C)[C@@H](F)C3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.61
DYRK1A Q13627 20/20 0.61

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
SCHEMBL20938609 0.87 GSK3B (0.61) GSK3BDYRK1A
SCHEMBL20938712 0.82 GSK3B (0.56) GSK3BDYRK1A
SCHEMBL20938541 0.82 GSK3B (0.57) GSK3BDYRK1A
SCHEMBL20938538 0.78 DYRK1A (0.49) GSK3BDYRK1A
SCHEMBL20938495 0.77 GSK3B (0.78) GSK3BDYRK1A
SCHEMBL20916027 0.76 GSK3B (1.00) GSK3BDYRK1A
SCHEMBL20938707 0.76 GSK3B (0.59) GSK3BDYRK1A
SCHEMBL20938716 0.73 GSK3B (0.49) GSK3BDYRK1A
SCHEMBL20946870 0.72 GSK3B (0.79) GSK3BDYRK1A
SCHEMBL20947401 0.72 GSK3B (0.76) GSK3BDYRK1A

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
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 WO disclosed