SCHEMBL4728689

SCHEMBL4728689

COc1ccc(CNc2ncnc3cc(O)c([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.55
EGFR P00533 4/20 0.54
MAPK1 P28482 2/20 0.53
STAT1 P42224 1/20 0.53
HTT P42858 3/20 0.51
RAF1 P04049 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ERBB2 P04626 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PDE11A Q9HCR9 2/20 0.47

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
SCHEMBL4725990 0.91 MAPK1 (0.59) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL4727580 0.89 PDE5A (0.55) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL4725293 0.87 MAPK1 (0.52) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL7473060 0.85 STAT1 (0.64) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL7465501 0.81 STAT1 (0.56) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL4726024 0.80 PDE11A (0.55) PDE11A
SCHEMBL7473136 0.80 STAT1 (0.52) PDE5AEGFRMAPK1STAT1HTT
SCHEMBL7544551 0.80 STAT1 (0.61) PDE5AMAPK1STAT1HTTRAF1
SCHEMBL7474668 0.79 HTT (0.63) PDE5AEGFRMAPK1HTTKDM4E
SCHEMBL4730203 0.79 PDE11A (0.54) 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