SCHEMBL6547514

SCHEMBL6547514

CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(N3CCCC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 1.00
PDE4B Q07343 6/20 1.00
PDE4C Q08493 6/20 1.00
PDE4D Q08499 6/20 1.00
LMNA P02545 1/20 0.64
CASP1 P29466 1/20 0.64
KDM4E B2RXH2 6/20 0.51
MAPK1 P28482 3/20 0.51
CYP2C9 P11712 1/20 0.49
ENPP2 Q13822 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6546535 0.99 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546696 0.92 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546526 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8236893 0.81 LMNA (0.83) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546036 0.80 KMT2A (0.71) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546287 0.79 LMNA (0.70) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546290 0.79 LMNA (0.73) PDE4APDE4BPDE4CPDE4DLMNA
Piromidic Acid SCHEMBL29479929 0.79 LMNA (1.00) PDE4APDE4BPDE4CPDE4DLMNA
Piromidic Acid SCHEMBL134848 0.79 LMNA (1.00) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL6547195 0.78 LMNA (0.71) PDE4APDE4BPDE4CPDE4DLMNA

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-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP claimed
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-0841927-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004775-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed