SCHEMBL5205720

SCHEMBL5205720

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
HSD11B1 P28845 10/20 0.39
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
CETP P11597 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PTPN11 Q06124 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 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
SCHEMBL5203258 0.88 PIK3CD (0.55) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5205939 0.85 PIK3CD (0.74) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5201356 0.85 PIK3CD (0.59) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5203780 0.85 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5202288 0.85 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5200658 0.85 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5203988 0.80 PIK3CD (0.61) PIK3CDIKBKETBK1CETP
SCHEMBL5203254 0.80 PIK3CD (0.60) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5206510 0.79 PIK3CD (0.59) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5203200 0.77 PIK3CD (0.49) PIK3CDIKBKETBK1ALDH1A1LMNA

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