SCHEMBL4779567

SCHEMBL4779567

C=CCc1c(OC)c([N+](=O)[O-])cc2c(NCc3ccc(OC)c(Cl)c3)nc(-n3ccnc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.48
PDE5A O76074 8/20 0.43
TBXAS1 P24557 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4725339 0.86 PDE11A (0.54) PDE11APDE5A
SCHEMBL4726006 0.82 PDE11A (0.69) PDE11APDE5A
SCHEMBL4727240 0.81 PDE11A (0.49) PDE11APDE5A
SCHEMBL4728638 0.77 PDE11A (0.64) PDE11APDE5A
SCHEMBL5125266 0.77 PDE5A (0.48) PDE5ATBXAS1PDE3BPDE3A
SCHEMBL4778502 0.75 PDE5A (0.47) PDE11APDE5A
SCHEMBL4727824 0.75 PDE11A (0.65) PDE11A
SCHEMBL4726288 0.74 PDE5A (0.58) PDE11APDE5A
SCHEMBL4726841 0.74 PDE11A (0.60) PDE11A
SCHEMBL4727805 0.73 PDE11A (0.63) PDE11A

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 1 patent. 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 disclosed