SCHEMBL7440168

SCHEMBL7440168

COCCCNc1nc(-n2ccnc2)nc2ccc(OC)cc12

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.73
TBXAS1 P24557 3/20 0.73
PDE3B Q13370 3/20 0.73
PDE3A Q14432 3/20 0.73
KMT5A Q9NQR1 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC2A1 P11166 1/20 0.44

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
Hydrochloric Acid SCHEMBL7439142 0.99 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL688671 0.95 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3AKMT5A
Hydrochloric Acid SCHEMBL7440120 0.94 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL7278130 0.89 PDE5A (0.75) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL7436083 0.88 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3AKMT5A
Hydrochloric Acid SCHEMBL7437767 0.88 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL7433363 0.87 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL7277838 0.87 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3AKMT5A
SCHEMBL7280303 0.86 PDE5A (0.68) PDE5ATBXAS1PDE3BPDE3AKMT5A
Hydrochloric Acid SCHEMBL7289825 0.85 PDE5A (0.68) PDE5ATBXAS1PDE3BPDE3AKMT5A

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 claimed