SCHEMBL7035541

SCHEMBL7035541

C#CCn1nc(-c2c(C(=C)C)nn3ccccc23)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
PDE3A Q14432 2/20 0.35
PDE5A O76074 2/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.35
PDE4B Q07343 2/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL7033867 0.84 ADORA1 (0.47) ADORA1PDE3APDE5APTGDR2HTT
SCHEMBL7038368 0.82 ADORA1 (0.48) ADORA1PDE3APDE5APTGDR2PDE4B
SCHEMBL7036654 0.82 ADORA1 (0.44) ADORA1PDE3APDE5APTGDR2PDE4B
SCHEMBL7035962 0.81 ADORA1 (0.43) ADORA1PDE3APDE5APTGDR2PDE4B
SCHEMBL7033864 0.81 ADORA1 (0.38) ADORA1PDE3APDE5APDE4B
SCHEMBL7036909 0.81 ADORA1 (0.43) ADORA1PDE3APDE5APDE4BMAPK1
SCHEMBL7039890 0.78 PDE5A (0.42) ADORA1PDE3APDE5APDE4BTSHR
SCHEMBL7032871 0.73 PDE3A (0.65) ADORA1PDE3APDE5APDE4BMAPK1
SCHEMBL7301059 0.69 ADORA1 (0.67) ADORA1PDE3APTGDR2PDE4BMAPK1
SCHEMBL7032843 0.69 PDE5A (0.40) ADORA1PDE3APDE5APTGDR2PDE4B

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