SCHEMBL4781374

SCHEMBL4781374

C=CCc1c(OC)c([N+](=O)[O-])cc2c(NCc3ccc4c(c3)OCO4)ncnc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.59
PDE2A O00408 1/20 0.59
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE1C Q14123 1/20 0.59
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE11A Q9HCR9 1/20 0.49
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL4726288 0.86 PDE5A (0.58) PDE5APDE11A
SCHEMBL4726725 0.86 PDE11A (0.51) PDE5APDE11A
SCHEMBL4726006 0.84 PDE11A (0.69) PDE5APDE11A
SCHEMBL4728638 0.82 PDE11A (0.64) PDE5APDE11A
SCHEMBL4781370 0.79 POLB (0.35) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL4727824 0.77 PDE11A (0.65) PDE11A
SCHEMBL4726841 0.76 PDE11A (0.60) PDE11A
SCHEMBL492485 0.75 PDE5A (1.00) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL4727805 0.75 PDE11A (0.63) PDE11A
SCHEMBL10267709 0.74 PDE5A (0.76) PDE5APDE2APDE1APDE1BPDE1C

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-2008020711-A1 QUINAZOLINE DERIVATIVE AS PHOSPHODIESTERASE INHIBITOR AND A PROCESS FOR PREPARING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-02-21 WO claimed
WO-2008020711-A1 QUINAZOLINE DERIVATIVE AS PHOSPHODIESTERASE INHIBITOR AND A PROCESS FOR PREPARING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-02-21 WO disclosed