SCHEMBL26134396

SCHEMBL26134396

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.70
PIK3R1 P27986 10/20 0.70
PIK3CD O00329 3/20 0.70
PIK3CB P42338 3/20 0.70
PIK3CG P48736 3/20 0.70
MTOR P42345 6/20 0.47
RICTOR Q6R327 5/20 0.47
RPTOR Q8N122 5/20 0.47
MAPKAP1 Q9BPZ7 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
RAF1 P04049 1/20 0.47
PIK3C2B O00750 1/20 0.47
PRKDC P78527 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
PIK3R5 Q8WYR1 1/20 0.44
PARP1 P09874 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
SCHEMBL16727876 0.90 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL26113276 0.89 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL26578625 0.88 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL30598745 0.88 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611275 0.87 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611305 0.84 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL26135094 0.82 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929582 0.81 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL30805543 0.80 PIK3CA (0.71) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL29183798 0.80 PIK3CA (0.71) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 WO disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 WO disclosed
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed