SCHEMBL23740792

SCHEMBL23740792

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.60
GSK3B P49841 17/20 0.60
WNT1 P04628 11/20 0.60
DYRK3 O43781 1/20 0.60
CLK1 P49759 1/20 0.60
CLK2 P49760 1/20 0.60
CLK3 P49761 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
DYRK2 Q92630 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
DYRK4 Q9NR20 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL23740780 0.89 GSK3B (0.53) DYRK1AGSK3BWNT1
SCHEMBL23740823 0.87 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL23741160 0.86 ABL1 (0.51) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL23741017 0.85 GSK3B (0.55) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741058 0.84 GSK3B (0.61) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL23741588 0.84 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL23740948 0.84 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23740768 0.83 GSK3B (0.61) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL23741134 0.83 GSK3B (0.56) DYRK1AGSK3BWNT1
SCHEMBL23741042 0.83 GSK3B (0.57) 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