SCHEMBL25256501

SCHEMBL25256501

CC(C)(C)OC(=O)N1CCC(Oc2cncc3ccc(Br)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
GPR119 Q8TDV5 11/20 0.46
IKBKB O14920 1/20 0.45
USP30 Q70CQ3 1/20 0.44
PIK3CD O00329 1/20 0.44
KDM1A O60341 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL30481315 1.00 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL25644847 0.94 PIK3CD (0.50) PDE4BPDE4DPDE4APDE4CIKBKB
SCHEMBL30461672 0.94 PIK3CD (0.50) PDE4BPDE4DPDE4APDE4CIKBKB
SCHEMBL25270113 0.94 PIK3CD (0.50) PDE4BPDE4DPDE4APDE4CIKBKB
SCHEMBL29862920 0.85 PIK3CD (0.54) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL23360628 0.85 PIK3CD (0.54) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2502944 0.82 IKBKB (0.50) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL25422190 0.81 USP30 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL30481257 0.81 USP30 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL30481255 0.81 USP30 (0.49) PDE4BPDE4DPDE4APDE4CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118843626-A Heterocyclic compounds as DYRK1A inhibitors 普罗塞纳生物科学有限公司 2024-10-25 CN disclosed
EP-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed