SCHEMBL6068313

SCHEMBL6068313

CCOC(=O)c1sc(Nc2nc(NCc3ccc(NS(=O)(=O)CC)cc3)cc(N3CCOCC3)n2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.67
AURKA O14965 2/20 0.47
PDE2A O00408 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CSNK1D P48730 1/20 0.44
DHODH Q02127 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL6068436 0.94 PDE5A (0.67) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL6068442 0.91 PDE5A (0.68) PDE5APDE2APDE3BPDE3ANPSR1
SCHEMBL5522619 0.90 PDE5A (0.74) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL24133172 0.90 PDE5A (0.73) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL6068033 0.89 PDE5A (0.67) PDE5APDE2APDE3BPDE3ANPSR1
SCHEMBL6068612 0.89 PDE5A (0.84) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL28564066 0.87 PDE5A (0.67) PDE5APDE2APDE3BPDE3ANPSR1
SCHEMBL29408524 0.87 PDE5A (0.67) PDE5APDE2APDE3BPDE3ANPSR1
SCHEMBL6068277 0.86 PDE5A (0.65) PDE5APDE2APDE3BPDE3ANPSR1
SCHEMBL29831637 0.85 PDE5A (0.84) PDE5AAURKAPDE2APDE3BPDE3A

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-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed