SCHEMBL5203254

SCHEMBL5203254

CC1(C)CCCC(Oc2nc(N3CCOCC3)ncc2OC(=O)Nc2nn[nH]n2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.60
CETP P11597 1/20 0.35
HSD11B1 P28845 8/20 0.33
ALOX15 P16050 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
JAK3 P52333 1/20 0.32
ACACB O00763 4/20 0.31
LRRK2 Q5S007 1/20 0.31
SCN9A Q15858 1/20 0.31
PTPN11 Q06124 1/20 0.30

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 0.90 PIK3CD (0.74) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5203780 0.89 PIK3CD (0.75) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5202288 0.89 PIK3CD (0.75) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5200658 0.89 PIK3CD (0.75) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5201356 0.84 PIK3CD (0.59) PIK3CDCETPHSD11B1ALOX15IKBKE
SCHEMBL5203988 0.80 PIK3CD (0.61) PIK3CDCETPIKBKETBK1LRRK2
SCHEMBL5205720 0.80 PIK3CD (0.55) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5203258 0.79 PIK3CD (0.55) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5206510 0.78 PIK3CD (0.59) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5799288 0.77 PIK3CD (0.54) PIK3CDHSD11B1SCN9APTPN11

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