SCHEMBL29924495

SCHEMBL29924495

CC(C)(C)OC(=O)N1CC(CN2CCN(c3nc(-c4cnc(N)nc4C(F)F)nc(N4CCOCC4)n3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 10/20 0.58
RICTOR Q6R327 5/20 0.58
RPTOR Q8N122 5/20 0.58
MAPKAP1 Q9BPZ7 5/20 0.58
MLST8 Q9BVC4 5/20 0.58
PIK3R1 P27986 8/20 0.48
PIK3CD O00329 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL27086818 1.00 PIK3CA (0.58) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429217 0.93 PIK3CA (0.58) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429219 0.85 PIK3CA (0.61) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429334 0.85 PIK3CA (0.60) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL29924195 0.84 PIK3CA (0.62) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27086707 0.84 PIK3CA (0.62) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429232 0.83 PIK3CA (0.63) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL29921488 0.83 PIK3CA (0.71) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27086859 0.83 PIK3CA (0.71) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429305 0.83 PIK3CA (0.59) PIK3CAMTORRICTORRPTORMAPKAP1

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-4320110-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K Universität Basel (CH) 2024-02-14 EP disclosed
WO-2022214701-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K UNIVERSITÄT BASEL (CH) 2022-10-13 WO disclosed