SCHEMBL582984

SCHEMBL582984

CCn1ncc2c(NC3CCC(C(=O)O)CC3)c(C3=NOC4(C3)CC(OC(=O)O)C4)cnc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.44
PDE7A Q13946 1/20 0.44
ADORA1 P30542 4/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL583203 0.93 PDE4B (0.44) PDE4BPDE7AADORA1ADORA2A
SCHEMBL583211 0.92 PDE4B (0.52) PDE4BPDE7A
SCHEMBL582983 0.92 PDE4B (0.48) PDE4BPDE7AADORA1ADORA2A
SCHEMBL583195 0.92 PDE4B (0.54) PDE4BPDE7A
SCHEMBL583682 0.90 PDE4B (0.43) PDE4BPDE7AADORA1
SCHEMBL582971 0.89 PDE4B (0.49) PDE4BPDE7AADORA1ADORA2A
SCHEMBL582300 0.89 PDE4B (0.48) PDE4BPDE7AADORA1ADORA2A
SCHEMBL583298 0.88 PDE4B (0.45) PDE4BPDE7AADORA1ADORA2A
SCHEMBL582876 0.88 PDE4B (0.45) PDE4BPDE7AADORA1ADORA2A
SCHEMBL582749 0.88 PDE4B (0.47) PDE4BPDE7AADORA1ADORA2A

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-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP claimed