SCHEMBL8558719

SCHEMBL8558719

Cc1c(CO)nc2c(=O)[nH]c3cc(Cl)ccc3n12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.50
PDE5A O76074 1/20 0.46
PDE9A O76083 1/20 0.46
EGFR P00533 1/20 0.41
DAO P14920 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL8557983 0.88 DAO (0.43) ADORA3DAOADORA1
SCHEMBL8556228 0.83 ADORA3 (0.50) ADORA3PDE5APDE9A
SCHEMBL8557784 0.82 PDE5A (0.47) PDE5APDE9A
SCHEMBL8553393 0.82 PDE2A (0.49) ADORA3PDE5APDE9AADORA1
SCHEMBL8559120 0.78 ADORA3 (0.50) ADORA3PDE5APDE9A
SCHEMBL8555388 0.77 ADORA3 (0.57) ADORA3
SCHEMBL8556735 0.76 ADORA3 (0.48) ADORA3EGFRADORA1
SCHEMBL8558994 0.73 ADORA3 (0.55) ADORA3EGFRADORA1
SCHEMBL7351886 0.72 PDE5A (0.50) ADORA3PDE5APDE9A
SCHEMBL8554724 0.69 PDE5A (0.48) PDE5APDE9AEGFR

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-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP disclosed