SCHEMBL30734174

SCHEMBL30734174

Nc1cc(-c2ccc3ncnc(N4CCC5(CCN(c6ccccn6)CC5)C4)c3c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
CYP3A4 P08684 14/20 0.41
ALDH1A1 P00352 14/20 0.41
HSD17B10 Q99714 8/20 0.41
CYP2D6 P10635 7/20 0.41
MAPK1 P28482 6/20 0.41
USP2 O75604 6/20 0.41
TSHR P16473 6/20 0.41
CYP2C19 P33261 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 5/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CYP1A2 P05177 13/20 0.40
CLK4 Q9HAZ1 9/20 0.40
LMNA P02545 6/20 0.40
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL30734144 0.96 ACHE (0.45) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734203 0.89 ACHE (0.56) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL31745382 0.86 ACHE (0.53) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734130 0.82 ACHE (0.43) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734183 0.82 HTT (0.51) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734138 0.80 IRAK4 (0.46) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734200 0.78 HTT (0.54) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734169 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10CYP2D6MAPK1
SCHEMBL30734172 0.77 ACHE (0.59) ACHEBACE1CYP3A4ALDH1A1HSD17B10
SCHEMBL30734210 0.77 ACHE (0.56) ACHEBACE1CYP3A4ALDH1A1HSD17B10

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