SCHEMBL8516587

SCHEMBL8516587

CC(=O)On1c(=O)c(-c2cn(Cc3cccc(CN)c3)c3ccccc23)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.42
PDE4A P27815 11/20 0.40
PDE4B Q07343 11/20 0.40
PDE4C Q08493 11/20 0.40
PDE4D Q08499 11/20 0.40
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL8516339 0.94 F2RL3 (0.44) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL8516409 0.89 TP53 (0.43) POLBTP53
SCHEMBL8516249 0.87 F2RL3 (0.40) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7657926 0.85 USP2 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8516793 0.85 CAMK2D (0.48)
SCHEMBL8516977 0.84 CAMK2D (0.46)
SCHEMBL7662061 0.83 POLB (0.38) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7666306 0.83 USP2 (0.39) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7660922 0.82 PDE4A (0.37) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7652540 0.82 PDE4A (0.37) F2RL3PDE4APDE4BPDE4CPDE4D

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed