SCHEMBL7400872

SCHEMBL7400872

Cn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00

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
SCHEMBL13986186 0.83 PDE5A (0.71) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7397313 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7395737 0.78 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL13111716 0.77 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7599163 0.76 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25235156 0.75 PDE5A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25222680 0.74 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7392696 0.74 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7394935 0.74 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400136 0.73 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D

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
EP-0550570-A1 XANTHINE DERIVATIVES Beecham Group p.l.c. (GB) 1993-07-14 EP claimed
WO-1992005175-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed
WO-1993023401-A1 8-SUBSTITUTED ANTHINES AS PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1993-11-25 WO disclosed