SCHEMBL6445847

SCHEMBL6445847

COc1cc(-c2nc3c(nc(C)n3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GUSB P08236 2/20 0.39
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 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
SCHEMBL6023972 0.85 PDE2A (0.52) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6024102 0.77 PDE2A (0.47) PDE2AMAPTKDM4EALDH1A1HPGD
SCHEMBL6023204 0.76 PDE2A (0.51) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6023289 0.74 PDE2A (0.47) PDE2AKDM4EALDH1A1HPGDPDE4A
SCHEMBL6023837 0.73 PDE2A (0.51) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6023710 0.69 PDE2A (0.47) PDE2AMAPTKDM4EALDH1A1HPGD
SCHEMBL6023361 0.69 PDE2A (0.45) PDE2AMAPTKDM4EALDH1A1HPGD
SCHEMBL7354927 0.68 PDE2A (0.57) PDE2AALDH1A1HPGDCDK4CCND1
SCHEMBL6023263 0.67 PDE2A (0.44) PDE2A
SCHEMBL6024717 0.67 PDE2A (0.46) PDE2AKDM4EALDH1A1HPGDPDE4A

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-1601675-A1 PURIN-6-ONE-DERIVATIVES ALTANA Pharma AG (DE) 2005-12-07 EP disclosed
WO-2004089953-A1 PURIN-6-ONE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-10-21 WO disclosed