SCHEMBL7439093

SCHEMBL7439093

CC(=O)Oc1ccc2nc(-n3ccnc3)nc(NCCN(C)C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.55
TBXAS1 P24557 3/20 0.55
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CD38 P28907 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL7277968 0.88 PDE5A (0.59) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7433363 0.88 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279350 0.85 PDE5A (0.58) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277939 0.85 PDE5A (0.54) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7431839 0.85 PDE5A (0.77) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7434941 0.83 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7431779 0.82 PDE5A (0.54) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7436401 0.82 PDE5A (0.68) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7431759 0.81 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7437955 0.81 PDE5A (0.53) 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 1 patent. 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 disclosed