SCHEMBL20938487

SCHEMBL20938487

COC1CCN(CC(=O)Nc2cc3cc(C(=N)SC(C)=N)ccc3cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.62
DYRK1A Q13627 20/20 0.62
WNT1 P04628 13/20 0.62

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
SCHEMBL23741354 0.88 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23741122 0.84 DYRK1A (0.62) GSK3BDYRK1AWNT1
SCHEMBL24219438 0.83 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740978 0.81 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL30004595 0.77 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515908 0.77 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL24219625 0.76 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL20916040 0.75 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL20938716 0.75 GSK3B (0.49) GSK3BDYRK1AWNT1
SCHEMBL20938564 0.75 GSK3B (0.78) 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
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 WO disclosed