SCHEMBL23740847

SCHEMBL23740847

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)C3CC4(CCN(C)CC4)C3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.50
GSK3B P49841 18/20 0.50
WNT1 P04628 11/20 0.50
ABL1 P00519 1/20 0.45

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
SCHEMBL23740862 0.91 DYRK1A (0.60) DYRK1AGSK3BWNT1
SCHEMBL23740780 0.86 GSK3B (0.53) DYRK1AGSK3BWNT1ABL1
SCHEMBL23741588 0.85 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL23741106 0.84 GSK3B (0.64) DYRK1AGSK3BWNT1ABL1
SCHEMBL23740823 0.83 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL24219006 0.83 DYRK1A (0.58) DYRK1AGSK3BWNT1ABL1
SCHEMBL23741134 0.83 GSK3B (0.56) DYRK1AGSK3BWNT1ABL1
SCHEMBL23741017 0.82 GSK3B (0.55) DYRK1AGSK3BWNT1ABL1
SCHEMBL23741160 0.82 ABL1 (0.51) DYRK1AGSK3BWNT1ABL1
SCHEMBL23740948 0.82 GSK3B (0.59) DYRK1AGSK3BWNT1ABL1

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