SCHEMBL3469240

SCHEMBL3469240

COc1cc(-c2cnc3c(N4CCOCC4)nccn23)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 1.00
PDE6A P16499 1/20 1.00
PDE1B Q01064 1/20 1.00
PDE3A Q14432 1/20 1.00
PDE10A Q9Y233 1/20 0.47
GAK O14976 1/20 0.45
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT3 P36888 1/20 0.45
CLK2 P49760 1/20 0.45
MAP2K5 Q13163 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVR1 Q04771 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3467938 0.81 PDE5A (0.67) PDE5APDE6APDE1BPDE3APDE10A
SCHEMBL3473549 0.80 PDE5A (0.67) PDE5APDE6APDE1BPDE3APDE10A
SCHEMBL3469571 0.77 PDE5A (0.63) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3467028 0.75 PDE5A (0.60) PDE5APDE6APDE1BPDE3AALDH1A1
SCHEMBL3467020 0.75 PDE5A (0.60) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3466485 0.74 GRIA1 (0.60) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3467072 0.74 PDE5A (0.59) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL2486922 0.74 PDE5A (0.58) PDE5APDE6APDE1BPDE3APDE10A
SCHEMBL2487528 0.74 GRIA1 (0.64) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL6937711 0.73 PDE5A (0.56) PDE5APDE6APDE1BPDE3AALDH1A1

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-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed