SCHEMBL21362286

SCHEMBL21362286

COc1nn(C)c2ncnc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.54
PIK3CA P42336 12/20 0.54
PIK3CB P42338 12/20 0.54
PIK3CG P48736 12/20 0.54
PRKDC P78527 12/20 0.54
ABL1 P00519 9/20 0.54
EGFR P00533 9/20 0.54
HCK P08631 9/20 0.54
SRC P12931 9/20 0.54
MTOR P42345 9/20 0.54
EPHB4 P54760 9/20 0.54
PI4KB Q9UBF8 5/20 0.54
KDR P35968 7/20 0.48
NUDT14 O95848 1/20 0.48
NUDT5 Q9UKK9 1/20 0.48
LRRK2 Q5S007 1/20 0.44
CCR4 P51679 2/20 0.43
ATG7 O95352 1/20 0.43
RET P07949 1/20 0.43
PI4KA P42356 1/20 0.42

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
SCHEMBL21362196 0.81 ATG7 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3788404 0.79 SRC (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10260251 0.78 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129868 0.75 PIK3CB (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29503436 0.75 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL869057 0.75 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130592 0.75 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29503435 0.75 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917223 0.74 PIK3CB (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129505 0.74 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 WO disclosed