SCHEMBL7033864

SCHEMBL7033864

C#CCC(C#C)n1nc(-c2c(C(=C)C)nn3ccccc23)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
PDE5A O76074 5/20 0.34
PDE3A Q14432 3/20 0.34
PDE4B Q07343 5/20 0.31

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
SCHEMBL7039890 0.82 PDE5A (0.42) ADORA1PDE5APDE3APDE4B
SCHEMBL7035541 0.81 ADORA1 (0.45) ADORA1PDE5APDE3APDE4B
SCHEMBL7036909 0.77 ADORA1 (0.43) ADORA1PDE5APDE3APDE4B
SCHEMBL7033867 0.74 ADORA1 (0.47) ADORA1PDE5APDE3A
SCHEMBL7032843 0.74 PDE5A (0.40) ADORA1PDE5APDE3APDE4B
SCHEMBL7038474 0.73 PDE5A (0.41) ADORA1PDE5APDE3APDE4B
SCHEMBL7038368 0.72 ADORA1 (0.48) ADORA1PDE5APDE3APDE4B
SCHEMBL7036654 0.72 ADORA1 (0.44) ADORA1PDE5APDE3APDE4B
SCHEMBL7037944 0.72 PDE5A (0.42) ADORA1PDE5APDE3APDE4B
SCHEMBL7035962 0.71 ADORA1 (0.43) ADORA1PDE5APDE3APDE4B

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
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed