SCHEMBL4771961

SCHEMBL4771961

CCOC(=O)/C=C/c1c(CC(C)C)nc2c(cnn2CC)c1-c1cncc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4774900 0.90 DPP4 (0.40) PDE4BDPP4
SCHEMBL4774893 0.90 DPP4 (0.40) PDE4BDPP4
SCHEMBL4769897 0.84 SIGMAR1 (0.32) PDE4B
SCHEMBL4778806 0.84 PDE4B (0.43) PDE4BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4771963 0.82 PDE4B (0.33) PDE4BDPP4
SCHEMBL4776623 0.82 PDE4B (0.33) PDE4BDPP4
SCHEMBL4770000 0.81 DPP4 (0.31) PDE4BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4769987 0.81 DPP4 (0.31) PDE4BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4770200 0.81 NR3C1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4770211 0.81 NR3C1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed