SCHEMBL7440825

SCHEMBL7440825

N#Cc1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.68
PTGS1 P23219 2/20 0.68
TBXAS1 P24557 2/20 0.68
PTGS2 P35354 2/20 0.68
MAPK1 P28482 6/20 0.65
CYP1A2 P05177 6/20 0.65
CYP3A4 P08684 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
ALDH1A1 P00352 5/20 0.65
USP2 O75604 5/20 0.65
HSD17B10 Q99714 5/20 0.65
CLK4 Q9HAZ1 5/20 0.65
CYP2D6 P10635 5/20 0.65
LMNA P02545 4/20 0.65
CYP2C19 P33261 3/20 0.65
HIF1A Q16665 2/20 0.65
ALOX15 P16050 1/20 0.65
CYP2C9 P11712 3/20 0.60
TSHR P16473 3/20 0.60

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
SCHEMBL7444459 0.88 PDE5A (0.72) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7437119 0.83 PDE5A (0.74) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7442498 0.82 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7405705 0.82 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7435476 0.82 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7433013 0.82 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7277479 0.81 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7380061 0.81 PDE5A (0.70) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7411550 0.80 PDE5A (0.68) PDE5APTGS1TBXAS1PTGS2MAPK1
SCHEMBL7436146 0.80 PDE5A (0.68) PDE5APTGS1TBXAS1PTGS2MAPK1

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