SCHEMBL5203780

SCHEMBL5203780

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1OC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.75
EPHX1 P07099 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
LRRK2 Q5S007 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
TTK P33981 1/20 0.34
JAK3 P52333 1/20 0.34
CETP P11597 1/20 0.34
STAT3 P40763 1/20 0.34
HSD11B1 P28845 2/20 0.34
LMNA P02545 1/20 0.33
PTPN11 Q06124 1/20 0.33
AKT1 P31749 1/20 0.33
IGF1R P08069 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL5200658 1.00 PIK3CD (0.75) PIK3CDEPHX1EGLN1LRRK2IKBKE
SCHEMBL5202288 1.00 PIK3CD (0.75) PIK3CDEPHX1EGLN1LRRK2IKBKE
SCHEMBL5205939 0.99 PIK3CD (0.74) PIK3CDEPHX1EGLN1LRRK2IKBKE
SCHEMBL5203254 0.89 PIK3CD (0.60) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5203988 0.88 PIK3CD (0.61) PIK3CDEPHX1LRRK2IKBKETBK1
SCHEMBL5201356 0.88 PIK3CD (0.59) PIK3CDLRRK2IKBKETBK1JAK3
SCHEMBL5206510 0.87 PIK3CD (0.59) PIK3CDEPHX1IKBKETBK1CETP
SCHEMBL5205720 0.85 PIK3CD (0.55) PIK3CDIKBKETBK1CETPHSD11B1
SCHEMBL5206517 0.85 PIK3CD (0.57) PIK3CDEGLN1IKBKETBK1CETP
SCHEMBL5203258 0.84 PIK3CD (0.55) PIK3CDIKBKETBK1JAK3CETP

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