SCHEMBL7053073

SCHEMBL7053073

CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.82
PDE4B Q07343 9/20 0.82
PDE4C Q08493 9/20 0.82
PDE4D Q08499 9/20 0.82
SORT1 Q99523 1/20 0.56
ELANE P08246 2/20 0.55
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.51
F2 P00734 1/20 0.49

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
SCHEMBL7056840 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7051846 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL7053635 0.89 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7056126 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7058531 0.83 ALDH1A1 (0.66) PDE4APDE4BPDE4CPDE4DSORT1
Hydrochloric Acid SCHEMBL7054209 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL7055242 0.83 ALDH1A1 (0.65) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7055628 0.82 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7051841 0.81 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DSORT1
Hydrochloric Acid SCHEMBL7058569 0.81 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DSORT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed
EP-0841929-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004779-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed