SCHEMBL5205939

SCHEMBL5205939

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1OC1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.74
LRRK2 Q5S007 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
JAK3 P52333 1/20 0.35
EPHX1 P07099 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
CETP P11597 1/20 0.34
PTPN11 Q06124 1/20 0.34
HSD11B1 P28845 2/20 0.33
TTK P33981 1/20 0.33
AKT1 P31749 1/20 0.33
IGF1R P08069 1/20 0.33
STAT3 P40763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ACACB O00763 2/20 0.33

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
SCHEMBL5203780 0.99 PIK3CD (0.75) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5200658 0.99 PIK3CD (0.75) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5202288 0.99 PIK3CD (0.75) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5203254 0.90 PIK3CD (0.60) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5201356 0.89 PIK3CD (0.59) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5203988 0.87 PIK3CD (0.61) PIK3CDLRRK2IKBKETBK1EPHX1
SCHEMBL5206510 0.86 PIK3CD (0.59) PIK3CDIKBKETBK1EPHX1CETP
SCHEMBL5205720 0.85 PIK3CD (0.55) PIK3CDIKBKETBK1CETPPTPN11
SCHEMBL5203258 0.85 PIK3CD (0.55) PIK3CDIKBKETBK1JAK3CETP
SCHEMBL5206517 0.84 PIK3CD (0.57) PIK3CDIKBKETBK1EGLN1CETP

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