SCHEMBL583413

SCHEMBL583413

CCn1nc(C)c2c(NC3CCC(C(=O)O)CC3)c(C3=NOC4(CCC(OC(=O)O)CC4)C3)cnc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PDE4B Q07343 7/20 0.34
PDE7A Q13946 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR5 P35346 1/20 0.31
ADORA1 P30542 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
SCHEMBL582548 0.93 POLB (0.49) POLBPDE4BPDE7AKMT2ASSTR5
SCHEMBL583872 0.93 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL583261 0.93 POLB (0.51) POLBPDE4BPDE7AKMT2ASSTR5
SCHEMBL582564 0.92 POLB (0.47) POLBPDE4BPDE7A
SCHEMBL582581 0.91 POLB (0.49) POLBPDE4BPDE7AKMT2AADORA1
SCHEMBL583062 0.91 POLB (0.50) POLBPDE4BPDE7AKMT2ASSTR5
SCHEMBL583187 0.91 POLB (0.50) POLBPDE4BPDE7AKMT2ASSTR5
SCHEMBL582938 0.91 POLB (0.46) POLBPDE4BPDE7AKMT2A
SCHEMBL583182 0.90 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL582379 0.90 POLB (0.49) 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