SCHEMBL5201356

SCHEMBL5201356

CC1CC(C)CC(Oc2nc(N3CCOCC3)ncc2OC(=O)Nc2nn[nH]n2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
CETP P11597 1/20 0.36
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD11B1 P28845 4/20 0.34
PTPN11 Q06124 1/20 0.33
GAA P10253 2/20 0.32
ACACB O00763 3/20 0.32
POLB P06746 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
JAK3 P52333 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5205939 0.89 PIK3CD (0.74) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5203780 0.88 PIK3CD (0.75) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5200658 0.88 PIK3CD (0.75) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5202288 0.88 PIK3CD (0.75) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5205720 0.85 PIK3CD (0.55) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5203254 0.84 PIK3CD (0.60) PIK3CDCETPIKBKETBK1HSD11B1
SCHEMBL5203258 0.83 PIK3CD (0.55) PIK3CDCETPIKBKETBK1HSD11B1
SCHEMBL5203988 0.80 PIK3CD (0.61) PIK3CDCETPIKBKETBK1LRRK2
SCHEMBL5206510 0.79 PIK3CD (0.59) PIK3CDCETPIKBKETBK1ALDH1A1
SCHEMBL5203200 0.79 PIK3CD (0.49) PIK3CDIKBKETBK1ALDH1A1ACACB

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-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP claimed