SCHEMBL5558271

SCHEMBL5558271

CC(C#N)(c1cn2cc(Br)nc(N3CCOCC3)c2n1)N1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.36
PIK3R1 P27986 9/20 0.36
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MTOR P42345 3/20 0.33
ALDH1A1 P00352 1/20 0.32
PIK3CD O00329 3/20 0.31
PIK3CG P48736 2/20 0.31
XDH P47989 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
SCHEMBL10202140 0.89 PIK3CD (0.39) PIK3CAPIK3R1RAF1BRAFMTOR
SCHEMBL5553112 0.88 PIK3CA (0.39) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL10202139 0.77 USP2 (0.42) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL5557327 0.72 PIK3R1 (0.45) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL26072359 0.71 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL10092229 0.70 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL7318610 0.69 CTSK (0.43) PIK3CAPIK3R1ALDH1A1
SCHEMBL5563275 0.69 PIK3CA (0.44) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL10092233 0.68 PIK3CA (0.55) PIK3CAPIK3R1MTORALDH1A1
SCHEMBL5560237 0.68 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012052730-A1 USE OF PI3K INIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
EP-2444084-A1 Use of PI3K inibitors for the treatment of obesity Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-04-25 EP disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed