SCHEMBL582564

SCHEMBL582564

CCn1nc(C)c2c(NC3CCOCC3)c(C3=NOC4(CCC(OC(=O)O)CC4)C3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE4B Q07343 18/20 0.41
PDE3B Q13370 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL583872 0.94 POLB (0.48) POLBPDE4BPDE7A
SCHEMBL583068 0.93 POLB (0.47) POLBPDE4BPDE7A
SCHEMBL583413 0.92 POLB (0.48) POLBPDE4BPDE7A
SCHEMBL582938 0.91 POLB (0.46) POLBPDE4BPDE7A
SCHEMBL582210 0.90 POLB (0.47) POLBPDE4BPDE3BPDE7APDE3A
SCHEMBL582863 0.88 POLB (0.45) POLBPDE4BPDE3BPDE7APDE3A
SCHEMBL582195 0.87 POLB (0.45) POLBPDE4BPDE3BPDE7APDE3A
SCHEMBL583007 0.87 POLB (0.45) POLBPDE4BPDE3BPDE7APDE3A
SCHEMBL583070 0.87 POLB (0.49) POLBPDE4BPDE7A
SCHEMBL582557 0.87 POLB (0.44) POLBPDE4BPDE3BPDE7APDE3A

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