SCHEMBL7435518

SCHEMBL7435518

Cc1ccc2nc(-n3ccnc3)nc(NCC3CCOCC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.60
TBXAS1 P24557 3/20 0.48
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL7433005 0.89 PDE5A (0.63) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7433246 0.88 PDE5A (0.60) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280235 0.88 PDE5A (0.64) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280632 0.88 PDE5A (0.60) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277444 0.88 PDE5A (0.66) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7287960 0.87 PDE5A (0.64) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7277419 0.87 PDE5A (0.66) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280025 0.86 PDE5A (0.80) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7444562 0.84 PDE5A (0.67) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7289821 0.84 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3A

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