SCHEMBL8516339

SCHEMBL8516339

CC(=O)On1c(=O)c(-c2cn(Cc3ccc(CN)cc3)c3ccccc23)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.44
PDE4A P27815 9/20 0.41
PDE4B Q07343 9/20 0.41
PDE4C Q08493 9/20 0.41
PDE4D Q08499 9/20 0.41
PDE3B Q13370 6/20 0.41
PDE3A Q14432 6/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CHRM1 P11229 2/20 0.38
CNR2 P34972 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
SCHEMBL8516587 0.94 F2RL3 (0.42) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL8516793 0.87 CAMK2D (0.48) CNR2
SCHEMBL8516977 0.86 CAMK2D (0.46) CNR2
SCHEMBL8516409 0.84 TP53 (0.43) POLBTP53MAPT
SCHEMBL7654522 0.83 ALDH1A1 (0.42) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7851651 0.81 PDE4A (0.38) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7659856 0.81 PDE4A (0.38) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL8516249 0.81 F2RL3 (0.40) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7663917 0.81 PDE4A (0.38) F2RL3PDE4APDE4BPDE4CPDE4D
SCHEMBL7664799 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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