SCHEMBL5203258

SCHEMBL5203258

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1OC1CC2CCC1C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
HSD11B1 P28845 9/20 0.36
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CETP P11597 1/20 0.33
IGF1R P08069 1/20 0.33
PTPN11 Q06124 1/20 0.31
MERTK Q12866 1/20 0.31
JAK3 P52333 1/20 0.31
ACACB O00763 2/20 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
SCHEMBL5205720 0.88 PIK3CD (0.55) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5205939 0.85 PIK3CD (0.74) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5200658 0.84 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5203780 0.84 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5202288 0.84 PIK3CD (0.75) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5201356 0.83 PIK3CD (0.59) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5203988 0.80 PIK3CD (0.61) PIK3CDIKBKETBK1CETP
SCHEMBL5203254 0.79 PIK3CD (0.60) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5206510 0.78 PIK3CD (0.59) PIK3CDHSD11B1IKBKETBK1CETP
SCHEMBL5206517 0.77 PIK3CD (0.57) PIK3CDHSD11B1IKBKETBK1CETP

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