SCHEMBL7287433

SCHEMBL7287433

c1ccc(CNc2nc(-n3ccnn3)nc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.64
PTGS1 P23219 2/20 0.64
TBXAS1 P24557 2/20 0.64
PTGS2 P35354 2/20 0.64
PDE3B Q13370 1/20 0.64
PDE3A Q14432 1/20 0.64
HRH4 Q9H3N8 1/20 0.56
RAD52 P43351 1/20 0.56
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
UBE2N P61088 1/20 0.55
RCE1 Q9Y256 1/20 0.55
MAPK1 P28482 1/20 0.54
APP P05067 4/20 0.53
MEN1 O00255 2/20 0.52

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
SCHEMBL7287599 0.78 PDE5A (0.65) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7280806 0.78 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7607292 0.78 LATS1 (0.44) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7610886 0.78 PDE5A (0.43) PDE5APTGS1TBXAS1PTGS2PDE3B
Hydrochloric Acid SCHEMBL7279655 0.77 PDE5A (0.97) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL3644425 0.77 PDE5A (0.67) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7607878 0.76 PDE5A (0.42) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7610232 0.76 PDE5A (0.42) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7280595 0.75 PDE5A (0.61) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL3643346 0.75 PDE5A (0.79) PDE5APTGS1TBXAS1PTGS2PDE3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed