SCHEMBL23740790

SCHEMBL23740790

CNN(C)/C=C(\C)c1ccc2cnc(NC(=O)C3(F)CCN(C)CC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.58
GSK3B P49841 17/20 0.58
WNT1 P04628 4/20 0.58
CLK2 P49760 2/20 0.48
CLK3 P49761 1/20 0.48

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
SCHEMBL23741499 0.90 DYRK1A (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219006 0.83 DYRK1A (0.58) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740775 0.81 DYRK1A (0.58) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740983 0.78 GSK3B (0.56) DYRK1AGSK3BWNT1
SCHEMBL23048630 0.77 HCAR3 (0.34) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740789 0.76 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740816 0.76 GSK3B (0.58) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219564 0.74 DYRK1A (0.37) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740975 0.74 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516099 0.73 DYRK1A (1.00) 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