SCHEMBL29953406

SCHEMBL29953406

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.38
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
MTOR P42345 10/20 0.37
PIK3CA P42336 10/20 0.37
PIK3C2B O00750 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PRKDC P78527 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.36
ASPH Q12797 1/20 0.35

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
SCHEMBL28856419 0.85 MTOR (0.40) PIK3CDCA2CHKAMTORPIK3CA
SCHEMBL29956331 0.79 ASPH (0.36) ASPH
SCHEMBL29953210 0.79 ASPH (0.36) ASPH
SCHEMBL28486144 0.78 PIK3R1 (0.37) PIK3CDPIK3CAPIK3R1ASPHAKR1C3
SCHEMBL16712832 0.76 CA2 (0.45) PIK3CDCA2CHKAMTORPIK3CA
SCHEMBL16115971 0.75 MEN1 (0.41)
SCHEMBL29953242 0.75 MEN1 (0.41)
SCHEMBL24858337 0.75 NOS3 (0.56) PIK3CDCA2CHKAMTORPIK3CA
SCHEMBL29851068 0.75 NOS3 (0.56) PIK3CDCA2CHKAMTORPIK3CA
SCHEMBL84522 0.73 PIK3CD (0.40) PIK3CDCA2CHKAMTORPIK3CA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed