SCHEMBL30734159

SCHEMBL30734159

Cn1cc(-c2ccc3ncnc(N4CCN(c5ccccn5)CC4)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
CYP3A4 P08684 14/20 0.56
CYP1A2 P05177 13/20 0.56
ALDH1A1 P00352 13/20 0.56
CLK4 Q9HAZ1 11/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPK1 P28482 8/20 0.56
LMNA P02545 7/20 0.56
CYP2D6 P10635 7/20 0.56
ALOX15 P16050 1/20 0.56
HIF1A Q16665 11/20 0.52
USP2 O75604 7/20 0.52
TSHR P16473 5/20 0.52
CYP2C19 P33261 7/20 0.51
HSD17B10 Q99714 1/20 0.51
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
ERBB4 Q15303 1/20 0.50

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
SCHEMBL30734172 0.83 ACHE (0.59) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734227 0.81 ACHE (0.57) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734210 0.81 ACHE (0.56) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734203 0.81 ACHE (0.56) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL31745219 0.78 ACHE (0.53) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL31745382 0.78 ACHE (0.53) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734194 0.77 HTT (0.66) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734213 0.76 ACHE (0.57) ACHEBACE1CYP3A4CYP1A2ALDH1A1
SCHEMBL30734132 0.76 HRH4 (0.66) ACHEBACE1CYP1A2ALDH1A1MEN1
SCHEMBL30734186 0.76 ACHE (0.60) ACHEBACE1CYP3A4CYP1A2ALDH1A1

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