SCHEMBL23741122

SCHEMBL23741122

CC(=N)SC(=N)c1ccc2cnc(NC(=O)CN3CCN(CCF)CC3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.62
GSK3B P49841 19/20 0.62
WNT1 P04628 16/20 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 0.90 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL20938487 0.84 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL24219438 0.81 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23740978 0.79 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL24219625 0.77 GSK3B (0.65) DYRK1AGSK3BWNT1
SCHEMBL30004761 0.77 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL19515892 0.77 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL19516132 0.75 GSK3B (0.81) DYRK1AGSK3BWNT1
SCHEMBL30005195 0.75 GSK3B (0.81) DYRK1AGSK3BWNT1
SCHEMBL19515950 0.75 GSK3B (0.71) DYRK1AGSK3BWNT1

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