SCHEMBL6317075

SCHEMBL6317075

CCOC(=O)c1sc(Nc2nc(NCc3ccc(NC(C)=O)cc3)c3c(ncn3CC)n2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.77
PDE3A Q14432 4/20 0.77
PDE2A O00408 2/20 0.77
PDE5A O76074 3/20 0.65
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
DHODH Q02127 5/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6318287 0.89 PDE3B (0.79) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317562 0.88 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317123 0.88 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6318607 0.88 PDE3B (0.87) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6325925 0.87 PDE3B (1.00) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317793 0.86 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6319496 0.85 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6319303 0.85 PDE3B (1.00) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6323438 0.85 PDE3B (0.90) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6324397 0.85 PDE3B (0.72) PDE3BPDE3APDE2APDE5AMAPT

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