SCHEMBL16628326

SCHEMBL16628326

Cc1nc(Cn2cc(C(N)=O)c3ncccc32)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 2/20 0.41
PDE6A P16499 2/20 0.41
PDE6G P18545 2/20 0.41
PDE6B P35913 2/20 0.41
PDE6C P51160 2/20 0.41
PDE6H Q13956 2/20 0.41
FABP6 P51161 1/20 0.41
PARP1 P09874 1/20 0.40
PNP P00491 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 5/20 0.39
KDM4E B2RXH2 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ADRA1D P25100 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL21043467 0.83 FABP6 (0.42) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16593319 0.79 CHRM1 (0.65) CHRM1
SCHEMBL16628265 0.79 ADRA1D (0.41) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL30437365 0.76 KDM4E (0.48) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16628260 0.75 CHRM1 (0.46) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL18011014 0.74 CHRM1 (0.43) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16628259 0.73 ADRA1D (0.50) CHRM1KDM4EADRA1D
SCHEMBL16403175 0.73 PDE6D (0.73) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16628263 0.72 POLB (0.56) TP53SMN1; SMN2CHRM1KMT2A
SCHEMBL19997523 0.72 CHRM1 (0.48) PDE6DPDE6APDE6GPDE6BPDE6C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 EP disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO disclosed