SCHEMBL7287600

SCHEMBL7287600

CN(C)/C=N/S(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.73
TBXAS1 P24557 3/20 0.59
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL7287445 1.00 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7290406 0.99 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7290405 0.99 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279945 0.86 PDE5A (0.80) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7286778 0.85 PDE5A (0.81) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7440071 0.84 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7371441 0.82 PDE5A (0.81) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280059 0.82 PDE5A (0.80) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7435092 0.79 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7429990 0.78 PDE5A (0.77) 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 claimed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US claimed
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