SCHEMBL5799288

SCHEMBL5799288

CC1(C)CCCC(Oc2nc(N3CCOCC3)ncc2C(=O)O)C1.NC(=O)c1nn[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
HSD11B1 P28845 8/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTPN11 Q06124 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 2/20 0.32
SCN9A Q15858 1/20 0.32
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 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
SCHEMBL4149893 0.88 PIK3CD (0.51) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL5797335 0.84 PIK3CD (0.53) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL5801307 0.80 PIK3CD (0.49) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL5203254 0.77 PIK3CD (0.60) PIK3CDHSD11B1PTPN11SCN9A
SCHEMBL4131816 0.76 PIK3CD (0.63) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4141427 0.75 PIK3CD (0.65) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4141107 0.75 PIK3CD (0.65) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4134742 0.75 PIK3CD (0.65) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4132317 0.73 PIK3CD (0.56) PIK3CDHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4141303 0.70 PIK3CD (0.48) PIK3CDHSD11B1KDM4EALDH1A1PTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP claimed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed