SCHEMBL9850707

SCHEMBL9850707

CCCOc1ccc(NC=O)cc1-c1nc2nc(SC)ncc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE5A O76074 19/20 0.48
PDE6C P51160 2/20 0.44
PDE6D O43924 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE6B P35913 1/20 0.44
PDE6H Q13956 1/20 0.44
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE11A Q9HCR9 1/20 0.41

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
SCHEMBL9850804 0.85 PDE5A (0.51) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL147134 0.83 PDE5A (0.69) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL2567696 0.79 PDE5A (0.74) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL7726863 0.74 MEN1 (0.64) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL7722744 0.71 MEN1 (0.59) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL7723392 0.71 MEN1 (0.58) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL7723016 0.70 MEN1 (0.60) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL7718573 0.70 MEN1 (0.67) MEN1KMT2APDE5A
SCHEMBL7725988 0.69 PDE5A (0.72) MEN1KMT2APDE5APDE6CPDE6D
SCHEMBL7721797 0.69 PDE5A (0.69) MEN1KMT2APDE5APDE6CPDE6D

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
EP-0442204-A2 Pyrimidopyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-21 EP claimed
EP-0442204-A2 Pyrimidopyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-21 EP disclosed