SCHEMBL583872

SCHEMBL583872

CCn1nc(C)c2c(NC3CCCCC3)c(C3=NOC4(CCC(OC(=O)O)CC4)C3)cnc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PDE4B Q07343 11/20 0.40
PDE7A Q13946 1/20 0.38
KMT2A Q03164 1/20 0.33
NR3C1 P04150 3/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL582564 0.94 POLB (0.47) POLBPDE4BPDE7A
SCHEMBL583413 0.93 POLB (0.48) POLBPDE4BPDE7AKMT2A
SCHEMBL583070 0.93 POLB (0.49) POLBPDE4BPDE7AKMT2ANR3C1
SCHEMBL582938 0.93 POLB (0.46) POLBPDE4BPDE7AKMT2A
Bicarbonate SCHEMBL583188 0.90 POLB (0.50) POLBPDE4BPDE7AKMT2ANR3C1
Bicarbonate SCHEMBL583789 0.90 POLB (0.50) POLBPDE4BPDE7AKMT2ANR3C1
Bicarbonate SCHEMBL583374 0.90 POLB (0.50) POLBPDE4BPDE7AKMT2ANR3C1
Bicarbonate SCHEMBL582582 0.90 POLB (0.48) POLBPDE4BPDE7AKMT2ANR3C1
SCHEMBL582541 0.90 POLB (0.48) POLBPDE4BPDE7AKMT2ANR3C1
Bicarbonate SCHEMBL583485 0.89 POLB (0.47) POLBPDE4BPDE7AKMT2ANR3C1

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