SCHEMBL22304684

SCHEMBL22304684

O=C1COC(c2cnc(NC3CCCC3)c(C(F)(F)F)c2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.48
PDE3A Q14432 10/20 0.48
ULK1 O75385 3/20 0.39
MAOB P27338 4/20 0.38
RORC P51449 2/20 0.37
PTK2B Q14289 1/20 0.36

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
SCHEMBL22304510 0.77 MAOB (0.46) PDE3BPDE3AMAOB
SCHEMBL22288411 0.76 PDE3B (0.50) PDE3BPDE3AULK1MAOB
SCHEMBL22288984 0.74 MAOB (0.40) PDE3BPDE3AMAOB
SCHEMBL22304682 0.74 CNR2 (0.47) PDE3BPDE3AMAOB
SCHEMBL22288640 0.72 PDE3B (0.48) PDE3BPDE3AMAOB
SCHEMBL22288936 0.71 PDE3B (0.59) PDE3BPDE3AMAOB
SCHEMBL22288612 0.71 PDE3B (0.41) PDE3BPDE3AMAOB
SCHEMBL19517307 0.70 ULK1 (0.50) ULK1RORC
SCHEMBL22288706 0.69 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22288970 0.69 PDE3B (0.63) PDE3BPDE3AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed