SCHEMBL6073334

SCHEMBL6073334

CCOCCn1c(=O)c(=O)[nH]c2ncc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRIN1 Q05586 5/20 0.38
GRIN2B Q13224 5/20 0.38
HSD17B10 Q99714 1/20 0.37
PDE5A O76074 2/20 0.36
PDE6A P16499 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL6073650 0.92 PDE5A (0.38) GRIN1GRIN2BPDE5APDE6A
SCHEMBL6073625 0.85 MEN1 (0.37) GRIN1GRIN2BHSD17B10PDE5AALDH1A1
SCHEMBL20703796 0.84 PDE4D (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL30635481 0.76 HSD17B10 (0.50) ADORA2AADORA2BHSD17B10ALDH1A1AURKA
SCHEMBL8251682 0.75 PDE5A (0.43) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31008703 0.74 GRIN1 (0.58) GRIN1GRIN2B
SCHEMBL20134012 0.74 GRIN1 (0.58) GRIN1GRIN2B
SCHEMBL20704356 0.72 PDE4D (0.42) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL15999458 0.72 PDE4A (0.44) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6073328 0.71 PDE5A (0.62) PDE5APDE6A

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
WO-2006126081-A2 PYRIDINO [2 , 3-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed
WO-2006126081-A2 PYRIDINO [2 , 3-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed