SCHEMBL5206510

SCHEMBL5206510

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1OCCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
CETP P11597 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 2/20 0.35
EPHX1 P07099 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
TP53 P04637 1/20 0.33
STAT3 P40763 1/20 0.33
IDH1 O75874 1/20 0.32
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
GCGR P47871 1/20 0.32
GBA1 P04062 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
PTPN11 Q06124 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
SCHEMBL5203988 0.92 PIK3CD (0.61) PIK3CDCETPCYP11B2EPHX1IKBKE
SCHEMBL5200658 0.87 PIK3CD (0.75) PIK3CDCETPALDH1A1HSD11B1EPHX1
SCHEMBL5202288 0.87 PIK3CD (0.75) PIK3CDCETPALDH1A1HSD11B1EPHX1
SCHEMBL5203780 0.87 PIK3CD (0.75) PIK3CDCETPALDH1A1HSD11B1EPHX1
SCHEMBL5205939 0.86 PIK3CD (0.74) PIK3CDCETPALDH1A1HSD11B1EPHX1
SCHEMBL5206517 0.82 PIK3CD (0.57) PIK3CDCETPALDH1A1HSD11B1IKBKE
SCHEMBL5201356 0.79 PIK3CD (0.59) PIK3CDCETPALDH1A1HSD11B1IKBKE
SCHEMBL5205720 0.79 PIK3CD (0.55) PIK3CDCETPALDH1A1HSD11B1IKBKE
SCHEMBL5203258 0.78 PIK3CD (0.55) PIK3CDCETPHSD11B1IKBKETBK1
SCHEMBL5203254 0.78 PIK3CD (0.60) PIK3CDCETPHSD11B1IKBKETBK1

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