SCHEMBL6319710

SCHEMBL6319710

CCOC(=O)c1sc(Nc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3ncn(CC)c3n2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
PDE2A O00408 2/20 0.51
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
PDE5A O76074 5/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 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
SCHEMBL6318859 0.89 PDE3B (0.62) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL29832159 0.79 PDE5A (0.65) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL6068421 0.79 PDE5A (0.65) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL3997507 0.73 ADRA1D (0.44) KDM4EMAPTALDH1A1PDE5ALMNA
SCHEMBL6324483 0.72 PDE3B (0.74) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL6317100 0.72 PDE3B (0.55) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL6068359 0.71 PDE5A (0.64) KDM4EMAPTALDH1A1PDE5ALMNA
SCHEMBL6323630 0.70 PDE3B (0.73) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL6317718 0.70 PDE3B (0.67) PDE3BPDE3APDE2AKDM4EMAPT
SCHEMBL6325710 0.70 PDE3B (0.73) PDE3BPDE3APDE2AKDM4EMAPT

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