SCHEMBL23740862

SCHEMBL23740862

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3CC4(C3)CN(C)C4)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.60
GSK3B P49841 19/20 0.60
WNT1 P04628 15/20 0.60

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
SCHEMBL23740847 0.91 DYRK1A (0.50) DYRK1AGSK3BWNT1
SCHEMBL24218989 0.89 DYRK1A (0.47) DYRK1AGSK3BWNT1
SCHEMBL23740780 0.88 GSK3B (0.53) DYRK1AGSK3BWNT1
SCHEMBL23741017 0.84 GSK3B (0.55) DYRK1AGSK3BWNT1
SCHEMBL23741588 0.83 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL23740948 0.83 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23740823 0.83 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL23741134 0.82 GSK3B (0.56) DYRK1AGSK3BWNT1
SCHEMBL23741160 0.82 ABL1 (0.51) DYRK1AGSK3BWNT1
SCHEMBL23740828 0.81 GSK3B (0.51) DYRK1AGSK3BWNT1

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