SCHEMBL583436

SCHEMBL583436

CCn1ncc2c(NCc3ccccc3)c(/C=N\O)cnc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
ADORA1 P30542 5/20 0.46
ADORA2A P29274 1/20 0.46
PDE5A O76074 2/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRC P12931 2/20 0.44
NR3C1 P04150 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL582568 1.00 PDE4B (0.48) PDE4BADORA1ADORA2APDE5AHTT
SCHEMBL582569 1.00 PDE4B (0.48) PDE4BADORA1ADORA2APDE5AHTT
SCHEMBL582223 0.85 PDE4B (0.51) PDE4BADORA1ADORA2APDE5AHTT
SCHEMBL1472464 0.76 PDE4B (0.54) PDE4BADORA1HTT
SCHEMBL583577 0.76 PDE4B (0.54) PDE4BADORA1HTT
SCHEMBL583013 0.74 PDE4B (0.60) PDE4BHTT
SCHEMBL1471895 0.74 PDE4B (0.60) PDE4BHTT
SCHEMBL7028354 0.74 KMT2A (0.60) PDE4BADORA1HTTLMNAALDH1A1
SCHEMBL582654 0.73 PDE4B (0.60) PDE4B
SCHEMBL582653 0.73 PDE4B (0.60) PDE4B

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