SCHEMBL583545

SCHEMBL583545

CCn1ncc2c(NC3CCS(O)(O)CC3)c(/C=N\O)cnc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.48
HTT P42858 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 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
SCHEMBL583256 1.00 PDE4B (0.48) PDE4BHTTPDE3BPDE7APDE3A
SCHEMBL1472464 0.91 PDE4B (0.54) PDE4BHTT
SCHEMBL583577 0.91 PDE4B (0.54) PDE4BHTT
SCHEMBL583254 0.91 PDE4B (0.50) PDE4BHTT
SCHEMBL583255 0.91 PDE4B (0.50) PDE4BHTT
SCHEMBL1471895 0.89 PDE4B (0.60) PDE4BHTT
SCHEMBL583013 0.89 PDE4B (0.60) PDE4BHTT
SCHEMBL582653 0.88 PDE4B (0.60) PDE4B
SCHEMBL582654 0.88 PDE4B (0.60) PDE4B
SCHEMBL582521 0.87 PDE4B (0.53) PDE4B

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