SCHEMBL23740987

SCHEMBL23740987

CN/C=C(\C=N)c1ccc2cnc(NC(=O)C(C)N3CCCCC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.58
GSK3B P49841 16/20 0.58
WNT1 P04628 14/20 0.58
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL23740834 0.89 DYRK1A (0.58) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23740895 0.82 GSK3B (0.57) DYRK1AGSK3BWNT1
SCHEMBL23741125 0.79 DYRK1A (0.59) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23740757 0.78 GSK3B (0.58) DYRK1AGSK3BWNT1ALDH1A1
SCHEMBL23741162 0.77 DYRK1A (0.57) DYRK1AGSK3BWNT1KDM4EALDH1A1
SCHEMBL23048575 0.76 HCAR3 (0.35) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20030354 0.76 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219252 0.76 DYRK1A (0.44) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219182 0.75 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741126 0.75 DYRK1A (0.56) DYRK1AGSK3BWNT1KDM4EALDH1A1

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