SCHEMBL582938

SCHEMBL582938

CCn1nc(C)c2c(NC3CCS(=O)(=O)CC3)c(C3=NOC4(CCC(OC(=O)O)CC4)C3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PDE4B Q07343 6/20 0.33
PDE7A Q13946 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.93 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL582564 0.91 POLB (0.47) POLBPDE4BPDE7A
SCHEMBL583413 0.91 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL583673 0.90 POLB (0.46) POLBPDE4BPDE7AKMT2A
SCHEMBL582247 0.90 POLB (0.45) POLBPDE4BPDE7AKMT2A
SCHEMBL582174 0.89 POLB (0.46) POLBPDE4BPDE7AKMT2A
SCHEMBL583149 0.89 POLB (0.45) POLBPDE4BPDE7AKMT2A
SCHEMBL582796 0.89 POLB (0.45) POLBPDE4BPDE7AKMT2A
SCHEMBL582967 0.88 POLB (0.45) POLBPDE4BPDE7AKMT2A
SCHEMBL582545 0.88 POLB (0.44) POLBPDE4BPDE7AKMT2A

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