SCHEMBL28856419

SCHEMBL28856419

Nc1cc(C(F)(F)F)c(B(O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.40
PIK3CA P42336 12/20 0.40
PIK3CD O00329 3/20 0.40
PIK3C2B O00750 2/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
RICTOR Q6R327 1/20 0.40
RPTOR Q8N122 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
AKR1C3 P42330 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36

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
SCHEMBL29953406 0.85 PIK3CD (0.38) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL16712832 0.76 CA2 (0.45) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL6933510 0.75 NOS3 (0.56) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL29899421 0.75 NOS3 (0.56) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL29498290 0.74 CA2 (0.43) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL84522 0.73 PIK3CD (0.40) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL12327194 0.72 NOS3 (0.58) MTORPIK3CAPIK3R1PIK3CBNOS3
SCHEMBL12110247 0.72 PIK3CA (0.39) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL29435509 0.72 PIK3CA (0.39) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL22583123 0.71 GABRP (0.39) MTORPIK3CAPIK3CDPIK3C2BPIK3R1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-107652270-A 2‑(4 morpholinyls)4,6 disubstituted pyrimidines/s-triazine compound and its salt and application 西安交通大学 2018-02-02 CN disclosed