SCHEMBL583272

SCHEMBL583272

CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCNCC4)C3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.46
PDE7A Q13946 2/20 0.36
ABL1 P00519 2/20 0.32
BCR P11274 1/20 0.32
ALK Q9UM73 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SRC P12931 1/20 0.31

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
Hydrochloric Acid SCHEMBL582429 0.99 PDE4B (0.46) PDE4BPDE7AABL1BCRALK
SCHEMBL582190 0.92 PDE4B (0.48) PDE4BPDE7AABL1BCRPDE3B
SCHEMBL583252 0.92 PDE4B (0.48) PDE4BPDE7AABL1BCRPDE3B
SCHEMBL582884 0.91 PDE4B (0.48) PDE4BPDE7AABL1BCRPDE3B
SCHEMBL582254 0.88 PDE4B (0.48) PDE4BPDE7AABL1BCRALK
SCHEMBL583087 0.88 PDE4B (0.45) PDE4BPDE7AABL1BCRPDE3B
SCHEMBL582855 0.87 PDE4B (0.48) PDE4BPDE7AABL1BCRPDE3B
SCHEMBL583133 0.86 PDE4B (0.46) PDE4BPDE7APDE3BPDE3ASRC
SCHEMBL583099 0.86 PDE4B (0.46) PDE4BPDE7AALDH1A1
SCHEMBL583423 0.86 PDE4B (0.46) PDE4BPDE7AABL1BCRPDE3B

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