SCHEMBL4779725

SCHEMBL4779725

CCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.47
PDE4B Q07343 5/20 0.46
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5116424 0.91 PIK3CA (0.39) PDE4B
SCHEMBL4779577 0.85 PDE4B (0.47) ADORA3PDE4BLMNAMEN1GMNN
SCHEMBL4774090 0.81 PDE1C (0.37) PDE4BLMNAMEN1ALDH1A1MAPT
SCHEMBL4778516 0.81 RARB (0.37) ADORA3PDE4BSMN1; SMN2
SCHEMBL4778518 0.81 RARB (0.37) ADORA3PDE4BSMN1; SMN2
SCHEMBL4774023 0.80 MAPT (0.56) ADORA3PDE4BLMNAMEN1GMNN
SCHEMBL4772372 0.75 MAPT (0.47) ADORA3PDE4BLMNAMEN1GMNN
SCHEMBL4776614 0.74 KDM4E (0.46) ADORA3PDE4BLMNAMEN1GMNN
SCHEMBL4778834 0.73 MAPT (0.48) ADORA3PDE4BLMNAMEN1GMNN
SCHEMBL4776279 0.72 PIK3CA (0.38) PDE4BUSP2ALDH1A1MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed