SCHEMBL4756526

SCHEMBL4756526

COc1ccc(C(=O)Nc2ncc(C)cc2Br)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.60
PDE4A P27815 7/20 0.60
PDE4B Q07343 7/20 0.60
PDE4C Q08493 7/20 0.60
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4698806 0.80 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL4699354 0.77 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL4702946 0.76 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL4697930 0.75 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL4702655 0.75 PDE4A (1.00) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL4699784 0.74 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL155477 0.74 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL92611 0.74 PDE4A (0.71) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL450642 0.74 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL30074719 0.74 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CMEN1

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
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed