SCHEMBL10499

SCHEMBL10499

CC(C)COCCNC(=O)Nc1cc(-c2cccnc2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.44
PIK3CD O00329 11/20 0.44
PIK3CA P42336 10/20 0.44
PIK3CB P42338 1/20 0.40

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
SCHEMBL10447 0.88 PIK3CG (0.45) PIK3CGPIK3CDPIK3CA
SCHEMBL10361 0.85 PIK3CG (0.49) PIK3CGPIK3CDPIK3CA
SCHEMBL10369 0.75 CYP1A2 (0.56) PIK3CGPIK3CA
SCHEMBL10338 0.74 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12710083 0.70 ABL1 (0.50) PIK3CGPIK3CDPIK3CA
SCHEMBL10392 0.69 PIK3CG (0.51) PIK3CGPIK3CDPIK3CA
SCHEMBL12710081 0.67 ABL1 (0.49) PIK3CGPIK3CDPIK3CA
SCHEMBL10110 0.67 PIK3CG (0.47) PIK3CGPIK3CDPIK3CA
SCHEMBL10434 0.67 PIK3CG (0.45) PIK3CGPIK3CDPIK3CA
SCHEMBL12278777 0.66 NR4A2 (0.49)

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
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 WO disclosed