SCHEMBL7277032

SCHEMBL7277032

FC(F)(F)Oc1ccc(CNc2nc(-n3ccnc3)nc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.76
TBXAS1 P24557 3/20 0.76
PDE3B Q13370 3/20 0.76
PDE3A Q14432 3/20 0.76
PTGS1 P23219 1/20 0.76
PTGS2 P35354 1/20 0.76

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
SCHEMBL7279919 0.89 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277505 0.89 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7437432 0.89 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7286149 0.88 PDE5A (0.70) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280806 0.87 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7279655 0.85 PDE5A (0.97) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL3641183 0.80 CTNNB1 (0.59) PDE5A
SCHEMBL7280050 0.80 PDE5A (0.84) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7435225 0.79 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7286695 0.78 PDE5A (0.71) 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-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed