SCHEMBL7279972

SCHEMBL7279972

O=C(O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.72
TBXAS1 P24557 3/20 0.69
PDE3B Q13370 3/20 0.69
PDE3A Q14432 3/20 0.69
PTGS1 P23219 1/20 0.69
PTGS2 P35354 1/20 0.69
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53

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
SCHEMBL7279924 0.99 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279986 0.98 PDE5A (0.72) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279975 0.90 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7410322 0.90 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7439211 0.89 PDE5A (0.72) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7433884 0.89 PDE5A (0.70) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7406311 0.86 PDE5A (0.66) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7278185 0.85 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279930 0.84 PDE5A (0.76) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7437411 0.84 PDE5A (0.69) 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 4 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
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed