SCHEMBL583682

SCHEMBL583682

CCn1ncc2c(NC3CCS(=O)(=O)CC3)c(C3=NOC4(C3)CC(OC(=O)O)C4)cnc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.43
PDE7A Q13946 2/20 0.43
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ADORA1 P30542 1/20 0.35

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
SCHEMBL583732 0.93 PDE4B (0.43) PDE4BPDE7APDE3BPDE3AADORA1
SCHEMBL583211 0.92 PDE4B (0.52) PDE4BPDE7A
SCHEMBL583195 0.91 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
SCHEMBL582266 0.91 PDE4B (0.45) PDE4BPDE7APDE3BPDE3AADORA1
SCHEMBL582984 0.90 PDE4B (0.44) PDE4BPDE7AADORA1
SCHEMBL583217 0.90 PDE4B (0.45) PDE4BPDE7APDE3BPDE3AADORA1
SCHEMBL581988 0.90 PDE4B (0.45) PDE4BPDE7APDE3BPDE3AADORA1
SCHEMBL582588 0.89 PDE4B (0.44) PDE4BPDE7APDE3BPDE3AADORA1
SCHEMBL582725 0.88 PDE4B (0.45) PDE4BPDE7APDE3BPDE3A
SCHEMBL583278 0.88 PDE4B (0.48) PDE4BPDE7APDE3BPDE3A

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