SCHEMBL5206517

SCHEMBL5206517

O=C(Nc1nn[nH]n1)Oc1cnc(N2CCOCC2)nc1Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.57
GCGR P47871 4/20 0.38
CETP P11597 1/20 0.36
GAA P10253 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HSD11B1 P28845 2/20 0.34
GIPR P48546 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5203200 0.85 PIK3CD (0.49) PIK3CDALDH1A1LMNAIKBKETBK1
SCHEMBL5202288 0.85 PIK3CD (0.75) PIK3CDCETPGAAEGLN1ALDH1A1
SCHEMBL5200658 0.85 PIK3CD (0.75) PIK3CDCETPGAAEGLN1ALDH1A1
SCHEMBL5203780 0.85 PIK3CD (0.75) PIK3CDCETPGAAEGLN1ALDH1A1
SCHEMBL5205939 0.84 PIK3CD (0.74) PIK3CDCETPGAAEGLN1ALDH1A1
SCHEMBL5203988 0.83 PIK3CD (0.61) PIK3CDCETPIKBKETBK1
SCHEMBL5206510 0.82 PIK3CD (0.59) PIK3CDGCGRCETPALDH1A1SMN1; SMN2
SCHEMBL5201356 0.77 PIK3CD (0.59) PIK3CDCETPGAAALDH1A1HSD11B1
SCHEMBL5205720 0.77 PIK3CD (0.55) PIK3CDCETPGAAALDH1A1NPSR1
SCHEMBL5203258 0.77 PIK3CD (0.55) 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