SCHEMBL3467938

SCHEMBL3467938

COc1cccc(-c2cnc3c(N4CCOCC4)nccn23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.67
PDE6A P16499 1/20 0.67
PDE1B Q01064 1/20 0.67
PDE3A Q14432 1/20 0.67
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
STK4 Q13043 1/20 0.50
STK3 Q13188 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL3469763 0.87 DYRK1A (0.57) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3467072 0.84 PDE5A (0.59) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3466485 0.84 GRIA1 (0.60) PDE5APDE6APDE1BPDE3ASTK4
SCHEMBL3469240 0.81 PDE5A (1.00) PDE5APDE6APDE1BPDE3ACYP3A4
SCHEMBL3473549 0.78 PDE5A (0.67) PDE5APDE6APDE1BPDE3ACYP1A2
SCHEMBL3467008 0.76 FLT3 (0.48) PDE5APDE6APDE1BPDE3A
SCHEMBL3467020 0.76 PDE5A (0.60) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3467028 0.76 PDE5A (0.60) PDE5APDE6APDE1BPDE3AALDH1A1
SCHEMBL16881772 0.75 PIK3CA (0.55) CYP1A2CYP3A4TSHRMAPK1CYP2C19
SCHEMBL3470660 0.74 FYN (0.54) PDE5APDE6APDE1BPDE3AGRIA1

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