SCHEMBL7277968

SCHEMBL7277968

COCCNc1nc(-n2ccnc2)nc2ccc(OC(C)=O)cc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.59
TBXAS1 P24557 3/20 0.59
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CD38 P28907 2/20 0.44

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
SCHEMBL7277939 0.90 PDE5A (0.54) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279350 0.90 PDE5A (0.58) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL688671 0.88 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7439093 0.88 PDE5A (0.55) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7440120 0.87 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7286139 0.87 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7431839 0.86 PDE5A (0.77) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7433140 0.85 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277884 0.84 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7440168 0.83 PDE5A (0.73) 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