SCHEMBL31265262

SCHEMBL31265262

O=C(OC1CN(c2nc3c(c(NC4CCOCC4)n2)[S@@+]([O-])CC3)C1)c1cscn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 13/20 0.57
▸ TNF P01375 9/20 0.54
▸ LRRK2 Q5S007 1/20 0.32

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
SCHEMBL22264678 1.00 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL20839527 1.00 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL20838994 0.89 PDE4D (0.63) PDE4DTNF
SCHEMBL22264695 0.88 PDE4D (0.72) PDE4DTNF
SCHEMBL22264687 0.88 PDE4D (0.73) PDE4DTNF
SCHEMBL29735388 0.88 PDE4D (0.73) PDE4DTNF
SCHEMBL22264617 0.88 PDE4D (0.73) PDE4DTNF
SCHEMBL22264648 0.88 PDE4D (0.73) PDE4DTNF
SCHEMBL29735350 0.88 PDE4D (0.73) PDE4DTNF
SCHEMBL22272364 0.86 TNF (0.73) PDE4DTNF

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
EP-3684775-B1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2024-11-20 — — EP claimed
Send feedback