SCHEMBL7439183

SCHEMBL7439183

COCCNc1nc(-n2ccnc2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.73
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
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52

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 SCHEMBL7442487 0.99 PDE5A (0.73) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280843 0.87 PDE5A (0.71) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7441696 0.85 PDE5A (0.58) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7440023 0.85 PDE5A (0.68) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7433378 0.84 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7375078 0.84 PDE5A (0.67) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7373964 0.84 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL688671 0.84 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277884 0.84 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7438072 0.84 PDE5A (0.53) 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-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed