SCHEMBL4162170

SCHEMBL4162170

CCOC(OCC)(OCCF)C(OCC)(OCC)Oc1ccc2nc(N(C)C)c(-c3ccccc3)n2c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.38
AKT2 P31751 9/20 0.38
USP7 Q93009 1/20 0.37
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3274493 0.57 LTA4H (0.46)
SCHEMBL8370228 0.57 LTA4H (0.46)
SCHEMBL9340608 0.54 RARB (0.35)
SCHEMBL9185158 0.53 RAB9A (0.67) AKT1AKT2NPC1RAB9A
SCHEMBL1318629 0.53 AKT1 (0.53) AKT1AKT2USP7
SCHEMBL30218059 0.53 AKT1 (0.51) AKT1AKT2USP7NPC1RAB9A
SCHEMBL12920734 0.52 COMT (0.55) AKT1AKT2USP7NPC1RAB9A
SCHEMBL12920739 0.52 ADORA3 (0.43) AKT1AKT2USP7NPC1RAB9A
SCHEMBL2504442 0.51 PIK3CD (0.55) AKT1AKT2
SCHEMBL10875975 0.51 LTA4H (0.37) NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893245-A4 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS UNIV PENNSYLVANIA (US) 2009-06-24 EP disclosed
EP-1893245-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS The Trustees of the University of Pennsylvania (US) 2008-03-05 EP disclosed
WO-2007002540-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS KUNG HANK F (US) 2007-01-04 WO disclosed