SCHEMBL23741126

SCHEMBL23741126

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=O)C(C)N3CCCCC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.56
GSK3B P49841 18/20 0.56
WNT1 P04628 16/20 0.56
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36

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
SCHEMBL24219646 0.83 GSK3B (0.56) DYRK1AGSK3BWNT1
SCHEMBL23741125 0.81 DYRK1A (0.59) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23740951 0.78 GSK3B (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546936 0.76 HCAR3 (0.33) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740979 0.76 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL23048819 0.75 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740987 0.75 DYRK1A (0.58) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23740875 0.74 DYRK1A (0.32) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219528 0.74 USP30 (0.40) DYRK1AGSK3BWNT1
SCHEMBL23740834 0.74 DYRK1A (0.58) DYRK1AGSK3BWNT1KDM4EALDH1A1

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