SCHEMBL23741125

SCHEMBL23741125

CC(=N)SC(=N)c1ccc2cnc(NC(=O)C(C)N3CCCCC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.59
GSK3B P49841 16/20 0.59
WNT1 P04628 13/20 0.59
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL23741126 0.81 DYRK1A (0.56) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23741354 0.80 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23740987 0.79 DYRK1A (0.58) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23740834 0.79 DYRK1A (0.58) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23741162 0.76 DYRK1A (0.57) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL19515504 0.74 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL30005400 0.74 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL20938541 0.74 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL23740978 0.74 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL23916195 0.74 HCAR3 (0.36) DYRK1AGSK3BWNT1CLK2CLK3

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