SCHEMBL7433211

SCHEMBL7433211

CN(C)c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.75
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 5/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2D6 P10635 5/20 0.70
CYP2C19 P33261 5/20 0.70
TSHR P16473 4/20 0.70
HSD17B10 Q99714 4/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
LMNA P02545 3/20 0.70
MAPK1 P28482 3/20 0.70
TP53 P04637 2/20 0.70
CLK4 Q9HAZ1 2/20 0.70
USP2 O75604 2/20 0.70
GBA1 P04062 1/20 0.70
PTGS1 P23219 1/20 0.70
TBXAS1 P24557 1/20 0.70
PTGS2 P35354 1/20 0.70
MAPT P10636 3/20 0.69

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
SCHEMBL7280049 0.88 ALDH1A1 (0.80) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7436146 0.88 PDE5A (0.68) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7287894 0.87 ALDH1A1 (0.79) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7281010 0.86 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7285873 0.84 PDE5A (0.78) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7280438 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7436493 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7280074 0.84 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL432876 0.84 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7431815 0.84 PDE5A (0.76) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6

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