SCHEMBL14910469

SCHEMBL14910469

CCOc1cc2c(cc1OC)C(c1cnccn1)=NC1CCC(O)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
FPR2 P25090 9/20 0.36
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1411579 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL2263363 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CFPR2
Hydrochloric Acid SCHEMBL1411806 0.99 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CFPR2
Bromide SCHEMBL1411406 0.99 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CFPR2
Oxalic Acid SCHEMBL1411341 0.96 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CFPR2
Cadaverine Tartrate SCHEMBL1410696 0.93 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CFPR2
Alpha-Ketoglutaric Acid SCHEMBL1411393 0.90 PDE4A (0.40) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411112 0.89 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL2265923 0.88 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL1411343 0.87 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589599-B1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-06-25 EP disclosed
EP-2589599-A1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors Takeda GmbH (DE) 2013-05-08 EP disclosed