SCHEMBL30734201

SCHEMBL30734201

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ncnc3ccc(Br)cc13)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
KIT P10721 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDGFRB P09619 2/20 0.44
JAK3 P52333 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
MAP4K4 O95819 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
BACE1 P56817 2/20 0.41
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
ACACB O00763 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL25422069 0.95 HTT (0.49) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL30405762 0.95 HTT (0.49) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL30902204 0.94 HTT (0.48) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL30902146 0.94 HTT (0.48) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL30902102 0.91 HTT (0.52) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL31029554 0.91 HTT (0.52) HTTKITNPSR1ALDH1A1CYP11B2
SCHEMBL30902259 0.87 HTT (0.61) HTTKITNPSR1ALDH1A1PDGFRB
SCHEMBL2798395 0.87 HTT (0.61) HTTKITNPSR1ALDH1A1PDGFRB
SCHEMBL30398383 0.83 JAK3 (0.54) HTTKITNPSR1ALDH1A1PDGFRB
SCHEMBL26176358 0.83 JAK3 (0.54) HTTKITNPSR1ALDH1A1PDGFRB

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