SCHEMBL7411550

SCHEMBL7411550

COc1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.68
TBXAS1 P24557 3/20 0.68
PTGS1 P23219 1/20 0.68
PTGS2 P35354 1/20 0.68
USP2 O75604 3/20 0.65
LMNA P02545 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2D6 P10635 3/20 0.65
TSHR P16473 3/20 0.65
CYP2C19 P33261 3/20 0.65
CLK4 Q9HAZ1 3/20 0.65
MAPK1 P28482 3/20 0.65
CYP2C9 P11712 2/20 0.65
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 1/20 0.65
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
EGFR P00533 1/20 0.61
MEN1 O00255 4/20 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
SCHEMBL7436399 0.88 MAPT (0.78) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7441822 0.87 PDE5A (0.65) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7427903 0.86 PDE5A (0.68) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7426676 0.86 PDE5A (0.61) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7405705 0.85 PDE5A (0.77) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7431560 0.84 PDE5A (0.64) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7437119 0.83 PDE5A (0.74) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7442498 0.82 PDE5A (0.77) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7435476 0.82 PDE5A (0.73) PDE5ATBXAS1PTGS1PTGS2USP2
SCHEMBL7433013 0.82 PDE5A (0.73) PDE5ATBXAS1PTGS1PTGS2USP2

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 3 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
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed