SCHEMBL582548

SCHEMBL582548

CCn1nc(C)c2c(NC3CCC(C(=O)O)CC3)c(C3=NOC4(C3)CC(OC(=O)O)C4)cnc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PDE4B Q07343 7/20 0.35
PDE7A Q13946 1/20 0.35
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.30
SSTR5 P35346 1/20 0.30

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
SCHEMBL583413 0.93 POLB (0.48) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583070 0.93 POLB (0.49) POLBPDE4BPDE7AKMT2A
SCHEMBL582547 0.92 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583068 0.92 POLB (0.47) POLBPDE4BPDE7A
SCHEMBL582890 0.91 POLB (0.49) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL582833 0.89 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL583261 0.89 POLB (0.51) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583253 0.89 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL582960 0.89 POLB (0.47) POLBPDE4BPDE7AKMT2A
SCHEMBL583062 0.88 POLB (0.50) POLBPDE4BPDE7AKMT2AADORA1

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