SCHEMBL6324397

SCHEMBL6324397

CCOC(=O)c1sc(Nc2nc(NCc3cccnc3)c3c(ncn3CC)n2)nc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.72
PDE3A Q14432 4/20 0.72
PDE2A O00408 2/20 0.72
PDE5A O76074 2/20 0.63
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
DHODH Q02127 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
SCHEMBL6317793 0.86 PDE3B (0.78) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6318287 0.86 PDE3B (0.79) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6320322 0.86 PDE3B (0.72) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317562 0.85 PDE3B (0.78) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317123 0.85 PDE3B (0.78) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317075 0.85 PDE3B (0.77) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6318607 0.85 PDE3B (0.87) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6319496 0.84 PDE3B (0.78) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6319303 0.84 PDE3B (1.00) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6325925 0.84 PDE3B (1.00) PDE3BPDE3APDE2APDE5AALDH1A1

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
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US disclosed