SCHEMBL30734129

SCHEMBL30734129

CC(=O)N1CCN(c2ncnc3ccc(-c4ccnc(N)c4)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
CLK4 Q9HAZ1 10/20 0.52
CYP3A4 P08684 8/20 0.52
HIF1A Q16665 6/20 0.52
ALDH1A1 P00352 8/20 0.50
CYP1A2 P05177 7/20 0.50
CYP2D6 P10635 5/20 0.50
USP2 O75604 5/20 0.50
AKT1 P31749 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 5/20 0.49
MAPK1 P28482 5/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
MTNR1B P49286 2/20 0.48
CYP2C19 P33261 2/20 0.47

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
SCHEMBL31485157 0.85 PIK3CD (0.49) MAP4K4
SCHEMBL4354995 0.83 ACHE (0.58) ACHEBACE1CLK4CYP3A4HIF1A
SCHEMBL4358571 0.83 AKT1 (0.65) ACHEBACE1CLK4CYP3A4HIF1A
SCHEMBL30734156 0.82 ALDH1A1 (0.50) CLK4CYP3A4HIF1AALDH1A1CYP1A2
SCHEMBL30734169 0.82 CYP3A4 (0.54) CLK4CYP3A4HIF1AALDH1A1CYP1A2
SCHEMBL31485220 0.82 CASP6 (0.48) CYP3A4
SCHEMBL31485146 0.81 PIK3CA (0.47) MAP4K4
SCHEMBL4356104 0.81 ACHE (0.56) ACHEBACE1CLK4CYP3A4HIF1A
SCHEMBL30734232 0.81 ALDH1A1 (0.49) ACHEBACE1CLK4CYP3A4HIF1A
SCHEMBL30734231 0.81 CYP3A4 (0.52) CLK4CYP3A4HIF1AALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543888-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF Arizona Board of Regents on behalf of The University of Arizona (US) 2025-04-30 EP disclosed
WO-2023250083-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-12-28 WO disclosed