SCHEMBL6318859

SCHEMBL6318859

CCOC(=O)c1sc(Nc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3c(ncn3CC)n2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.62
PDE3A Q14432 4/20 0.62
PDE2A O00408 2/20 0.62
PDE5A O76074 6/20 0.54
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 2/20 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
SCHEMBL6319710 0.89 PDE3B (0.51) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL29832159 0.80 PDE5A (0.65) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6068421 0.80 PDE5A (0.65) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6317718 0.80 PDE3B (0.67) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6316078 0.79 PDE3B (0.66) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6319303 0.77 PDE3B (1.00) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6325377 0.76 PDE3B (0.84) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6323438 0.75 PDE3B (0.90) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL3997507 0.74 ADRA1D (0.44) PDE5AKDM4EMAPTALDH1A1LMNA
SCHEMBL6319484 0.73 PDE3B (0.62) PDE3BPDE3APDE2APDE5AKDM4E

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