SCHEMBL6323630

SCHEMBL6323630

CCOC(=O)c1sc(Nc2nc(N3CCOCC3)c3ncn(Cc4ccc(S(C)(=O)=O)cc4)c3n2)nc1C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.73
PDE3A Q14432 3/20 0.73
PDE2A O00408 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
PDE5A O76074 4/20 0.45
CSNK1D P48730 1/20 0.43
MTOR P42345 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6324483 0.92 PDE3B (0.74) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6325710 0.92 PDE3B (0.73) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6318214 0.88 PDE3B (0.68) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317606 0.86 PDE3B (0.67) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6324004 0.85 PDE3B (0.72) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6318174 0.85 PDE3B (1.00) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6317919 0.84 PDE3B (0.69) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL2205488 0.84 PDE3B (0.54) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6319661 0.84 PDE3B (0.79) PDE3BPDE3APDE2ANPSR1PDE5A
SCHEMBL6317366 0.83 PDE3B (0.86) PDE3BPDE3APDE2ANPSR1PDE5A

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