SCHEMBL7444459

SCHEMBL7444459

N#Cc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.72
ALDH1A1 P00352 6/20 0.71
CYP1A2 P05177 6/20 0.71
CYP3A4 P08684 6/20 0.71
MAPK1 P28482 5/20 0.71
HSD17B10 Q99714 5/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
CLK4 Q9HAZ1 4/20 0.71
TSHR P16473 4/20 0.71
USP2 O75604 4/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2D6 P10635 5/20 0.70
CYP2C19 P33261 5/20 0.70
LMNA P02545 3/20 0.70
GBA1 P04062 1/20 0.70
TP53 P04637 1/20 0.70
PTGS1 P23219 1/20 0.70
TBXAS1 P24557 1/20 0.70
PTGS2 P35354 1/20 0.70

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
SCHEMBL7440825 0.88 PDE5A (0.68) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7285873 0.84 PDE5A (0.78) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL432876 0.84 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7436493 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7431815 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7280438 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7281010 0.84 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7280074 0.84 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL16178178 0.83 CYP1A2 (0.65) PDE5AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7286130 0.83 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4MAPK1

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