SCHEMBL7280247

SCHEMBL7280247

COc1cc2nc(-n3ccnc3)nc(NCCOc3ccccc3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.60
TBXAS1 P24557 3/20 0.60
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL7278130 0.89 PDE5A (0.75) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7406562 0.87 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279816 0.86 PDE5A (0.59) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7437141 0.86 PDE5A (0.54) PDE5ATBXAS1PDE3BPDE3A
SCHEMBL7280843 0.86 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280221 0.85 PDE5A (0.70) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7278103 0.85 PDE5A (0.77) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7278005 0.84 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7290371 0.84 PDE5A (0.56) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7289552 0.84 PDE5A (0.56) PDE5ATBXAS1PDE3BPDE3APTGS1

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-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed