SCHEMBL7436146

SCHEMBL7436146

CN(C)c1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.68
PTGS1 P23219 2/20 0.68
TBXAS1 P24557 2/20 0.68
PTGS2 P35354 2/20 0.68
CYP1A2 P05177 6/20 0.64
CYP3A4 P08684 6/20 0.64
CYP2D6 P10635 6/20 0.64
CYP2C19 P33261 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TSHR P16473 5/20 0.64
KDM4E B2RXH2 4/20 0.64
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 3/20 0.64
HSD17B10 Q99714 3/20 0.64
TP53 P04637 3/20 0.64
CYP2C9 P11712 3/20 0.64
RECQL P46063 2/20 0.64

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
SCHEMBL7433211 0.88 PDE5A (0.75) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7405705 0.85 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7437119 0.83 PDE5A (0.74) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7442498 0.82 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7433013 0.82 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7435476 0.82 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL8615749 0.82 LMNA (0.81) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7411550 0.82 PDE5A (0.68) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7277479 0.81 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2CYP1A2
SCHEMBL7380061 0.81 PDE5A (0.70) PDE5APTGS1TBXAS1PTGS2CYP1A2

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