SCHEMBL23740909

SCHEMBL23740909

CC(C)CN1CCC(C)(C(=O)Nc2cc3cc(-n4nccn4)ccc3cn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.81
GSK3B P49841 19/20 0.64
WNT1 P04628 10/20 0.51
DYRK3 O43781 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK4 Q9NR20 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL19515378 0.90 DYRK1A (1.00) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL30005133 0.90 DYRK1A (1.00) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL23740912 0.87 DYRK1A (0.84) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL23740910 0.84 DYRK1A (0.58) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL24219192 0.79 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2
SCHEMBL24219158 0.79 DYRK1A (0.75) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL19515228 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL30005095 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1DYRK3CLK1
SCHEMBL24219543 0.78 GSK3B (0.63) DYRK1AGSK3BWNT1
SCHEMBL20946633 0.77 DYRK1A (0.77) DYRK1AGSK3BWNT1DYRK3CLK1

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