SCHEMBL3610117

SCHEMBL3610117

CCOc1cc2c(cc1OC)C(c1cnc(N(C)C)nc1OC)=NC1CCC(O)CC21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.30
EGFR P00533 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL1411269 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL18092835 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CTP53
Hydrochloric Acid SCHEMBL1411730 0.99 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTP53
Bromide SCHEMBL1411311 0.99 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTP53
Sulfuric Acid SCHEMBL1411761 0.96 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CTP53
Fumaric Acid SCHEMBL1411383 0.94 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTP53
Fumaric Acid SCHEMBL1411387 0.94 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTP53
Cadaverine Tartrate SCHEMBL1411136 0.93 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CTP53
Alpha-Ketoglutaric Acid SCHEMBL1411504 0.91 PDE4A (0.39) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL2265247 0.91 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTP53

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
US-7718668-B2 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2010-05-18 US disclosed
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US disclosed