SCHEMBL19857042

SCHEMBL19857042

Cc1cc(OC(F)(F)F)ccc1-c1cccc(OCc2ncccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
DYRK1A Q13627 2/20 0.43
SCN5A Q14524 1/20 0.42
PPARD Q03181 3/20 0.42
CYP1A2 P05177 2/20 0.41
GRM5 P41594 1/20 0.41
DHODH Q02127 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAOB P27338 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
KCNH2 Q12809 2/20 0.40
KCNA5 P22460 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MGLL Q99685 1/20 0.40
SYK P43405 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL16824800 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL19857043 0.86 CTSA (0.51) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL16824807 0.85 FFAR4 (0.47) SCN5APPARDCYP1A2FFAR4MAOB
SCHEMBL19857039 0.82 SCN5A (0.46) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL19857041 0.80 PPARD (0.45) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL16821860 0.78 SCN5A (0.39) SCN5APPARDCYP1A2GRM5FFAR4
SCHEMBL19857045 0.75 PPARD (0.46) SCN5APPARDFFAR4SYK
SCHEMBL28177887 0.74 SCN5A (0.51) SCN5ACYP1A2FFAR4
SCHEMBL15730155 0.74 DHODH (0.51) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL3733529 0.74 ADORA1 (0.46) DYRK1ASCN5ADHODHMMP2MMP3

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-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed