SCHEMBL2635973

SCHEMBL2635973

COc1cccc(Nc2c(C(N)=O)cnc3c(C)cccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.73
PDE4A P27815 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
CSF1R P07333 1/20 0.56

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
SCHEMBL13754028 0.89 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL1311332 0.88 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL8312142 0.85 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL4948607 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL4948999 0.85 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL2479683 0.85 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4948631 0.84 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4951341 0.84 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4627512 0.83 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL28298884 0.83 TSHR (0.53) PDE4BTP53

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-2569285-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES Gilead Sciences, Inc. (US) 2013-03-20 EP claimed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO claimed