SCHEMBL23740975

SCHEMBL23740975

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3(F)CC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.51
GSK3B P49841 17/20 0.51
WNT1 P04628 5/20 0.51
CLK2 P49760 3/20 0.51
CLK3 P49761 2/20 0.51
ABL1 P00519 1/20 0.46

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
SCHEMBL23741119 0.95 DYRK1A (0.53) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219006 0.92 DYRK1A (0.58) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740727 0.90 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740960 0.88 DYRK1A (0.63) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741134 0.84 GSK3B (0.56) DYRK1AGSK3BWNT1ABL1
SCHEMBL23740780 0.83 GSK3B (0.53) DYRK1AGSK3BWNT1ABL1
SCHEMBL24219244 0.83 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740961 0.82 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219230 0.80 DYRK1A (0.34) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20938733 0.80 NNMT (0.39) 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