SCHEMBL23740960

SCHEMBL23740960

CC(C)CN1CCC(F)(C(=O)Nc2cc3cc(/C(N)=C/N(C)N)ccc3cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.63
GSK3B P49841 18/20 0.61
WNT1 P04628 9/20 0.59
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL23740727 0.91 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219006 0.88 DYRK1A (0.58) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740975 0.88 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741119 0.85 DYRK1A (0.53) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741058 0.85 GSK3B (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219585 0.80 DYRK1A (0.45) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30004798 0.80 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516272 0.80 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741018 0.80 DYRK1A (0.54) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741070 0.80 GSK3B (0.64) 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