SCHEMBL856480

SCHEMBL856480

CCCNS(=O)(=O)c1cc(-c2ccc3c(c2)CN(c2ncnc4c2CC(C)(C)CC4)CCO3)cnc1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.35
PIK3CA P42336 4/20 0.34
RIPK2 O43353 2/20 0.33
NOD2 Q9HC29 2/20 0.33
PRKDC P78527 1/20 0.33
ENPP1 P22413 2/20 0.32
KIT P10721 1/20 0.31
PIK3CD O00329 2/20 0.30
PIK3CB P42338 2/20 0.30
PIK3CG P48736 2/20 0.30
CREBBP Q92793 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL858310 0.94 PIK3C3 (0.35) PIK3C3PIK3CARIPK2NOD2PRKDC
SCHEMBL858733 0.94 PIK3C3 (0.37) PIK3C3PIK3CARIPK2NOD2PRKDC
SCHEMBL859607 0.94 PIK3C3 (0.37) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL859142 0.94 PIK3C3 (0.34) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL856438 0.93 PIK3C3 (0.34) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL859016 0.93 PIK3C3 (0.34) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL856430 0.93 PIK3C3 (0.34) PIK3C3PIK3CARIPK2NOD2PRKDC
SCHEMBL856037 0.93 PIK3C3 (0.35) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL858463 0.93 PIK3C3 (0.34) PIK3C3PIK3CAPRKDCENPP1KIT
SCHEMBL856190 0.91 PIK3C3 (0.34) PIK3C3PIK3CAPRKDCENPP1KIT

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-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed