SCHEMBL30607013

SCHEMBL30607013

[O-][S@+]1CCc2nc(N3CC(c4ccccc4)C3)nc(NC3CCOCC3)c21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 8/20 0.47
▸ TNF P01375 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.33
▸ NAPEPLD Q6IQ20 3/20 0.33
▸ CSF1R P07333 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CCR4 P51679 1/20 0.31

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
SCHEMBL23068586 1.00 PDE4D (0.47) PDE4DTNFPDE10AEGLN1NAPEPLD
SCHEMBL23068587 1.00 PDE4D (0.47) PDE4DTNFPDE10AEGLN1NAPEPLD
SCHEMBL12921249 0.91 PDE4D (0.41) PDE4DPDE10AEGLN1NAPEPLDCCR4
SCHEMBL23068579 0.87 PDE4D (0.44) PDE4DNAPEPLDCCR4
SCHEMBL30607024 0.87 PDE4D (0.44) PDE4DNAPEPLDCCR4
SCHEMBL23068578 0.87 PDE4D (0.44) PDE4DNAPEPLDCCR4
SCHEMBL26968909 0.86 PDE4D (0.42) PDE4D
SCHEMBL30607017 0.86 PDE4D (0.43) PDE4DTNFPDE10AEGLN1
SCHEMBL23068567 0.86 PDE4D (0.43) PDE4DTNFPDE10AEGLN1
SCHEMBL23068564 0.86 PDE4D (0.43) PDE4DTNFPDE10AEGLN1

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
CN-111712502-B Substituted azetidine dihydro-thienopyrimidines and their use as phosphodiesterase inhibitors 联合疗法公司 2023-10-27 — — CN claimed
CN-111712502-B Substituted azetidine dihydro-thienopyrimidines and their use as phosphodiesterase inhibitors 联合疗法公司 2023-10-27 — — CN disclosed
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