SCHEMBL4011239

SCHEMBL4011239

CCCCCn1c(=NN=CCCOC(N)=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.48
▸ PDE4B Q07343 14/20 0.48
▸ PDE4C Q08493 14/20 0.48
▸ PDE4D Q08499 14/20 0.48
▸ ADORA2A P29274 11/20 0.48
▸ ADORA2B P29275 8/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PNP P00491 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
SCHEMBL4011236 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563302 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL563303 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910873 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3910881 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10183507 0.79 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562706 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL562703 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL561895 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL561896 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A

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
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 — — EP disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 — — WO disclosed
Send feedback