SCHEMBL23740826

SCHEMBL23740826

CN(N)/C=C(\N)c1ccc2cnc(NC(=O)CN3CCN(C)CC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.58
GSK3B P49841 19/20 0.58
WNT1 P04628 14/20 0.58

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
SCHEMBL23741592 0.93 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL23740935 0.92 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL23741069 0.90 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL23740874 0.89 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL24219531 0.89 DYRK1A (0.45) DYRK1AGSK3BWNT1
SCHEMBL23740784 0.88 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL23740802 0.86 GSK3B (0.58) DYRK1AGSK3BWNT1
SCHEMBL23741167 0.86 GSK3B (0.60) DYRK1AGSK3BWNT1
SCHEMBL23741106 0.84 GSK3B (0.64) DYRK1AGSK3BWNT1
SCHEMBL24218995 0.82 DYRK1A (0.43) 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