SCHEMBL8987482

SCHEMBL8987482

CCOc1c(-c2nc(N)c3c(CC)nn(C4CCCC4)c3n2)ccnc1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CFTR P13569 2/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
HDAC1 Q13547 3/20 0.34
PIK3CA P42336 8/20 0.34
MTOR P42345 6/20 0.33
PIK3CD O00329 4/20 0.33
ABL1 P00519 4/20 0.33
SRC P12931 4/20 0.33
PIK3CG P48736 4/20 0.33
EGFR P00533 3/20 0.33

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
SCHEMBL7321184 0.80 PIK3CD (0.40) CFTRPIK3CAMTORPIK3CDABL1
SCHEMBL7312127 0.77 PDE5A (0.42) PDE5APIK3CAMTORPIK3CDABL1
SCHEMBL7307551 0.74 SRC (0.34) PDE5ACFTRCSNK1A1CSNK1DCSNK1E
SCHEMBL7307567 0.74 SIGMAR1 (0.43) PDE5AHDAC1PIK3CAMTORPIK3CD
SCHEMBL7320063 0.73 EGFR (0.39) PDE5AKDM4EALDH1A1HSD17B10PIK3CA
SCHEMBL7313010 0.72 EGFR (0.36) PDE5AKDM4EALDH1A1HSD17B10PIK3CA
SCHEMBL7317680 0.71 SRC (0.38) PDE5AKDM4EALDH1A1HSD17B10PIK3CA
SCHEMBL7312223 0.67 TLR9 (0.39) PDE5AKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL7322196 0.66 SRC (0.40) PDE5APIK3CAMTORPIK3CDABL1
SCHEMBL9081191 0.63 PDE4A (0.36) PIK3CAMTORPIK3CDABL1SRC

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-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed