SCHEMBL29951044

SCHEMBL29951044

Nc1ncc(B(O)O)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
PIK3CA P42336 8/20 0.40
MTOR P42345 6/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3C2B O00750 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
DHFR P00374 2/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
MAP3K12 Q12852 2/20 0.33

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
SCHEMBL15696860 0.85 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL15338074 0.77 KDM4E (0.45) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL6936291 0.75 KDM4E (0.55) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL29955721 0.74 DHFR (0.38) DHFR
SCHEMBL15038356 0.73 KDM4E (0.47) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL24456358 0.72 RXFP1 (0.39) KDM4EPIK3CAMTORPIK3R1DHFR
SCHEMBL29956361 0.72 RXFP1 (0.39) KDM4EPIK3CAMTORPIK3R1DHFR
SCHEMBL10202044 0.72 KDM4E (0.45) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL29954016 0.72 BACE1 (0.37) KDM4E
SCHEMBL2611051 0.72 KDM4E (0.45) KDM4EPIK3CAMTORPIK3CBPIK3CD

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