SCHEMBL29952398

SCHEMBL29952398

Nc1ncc(B(O)O)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 7/20 0.38
MTOR P42345 1/20 0.37
PIK3CA P42336 7/20 0.36
MGLL Q99685 2/20 0.35
TNF P01375 1/20 0.34
CYP3A4 P08684 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL357802 1.00 MAP3K12 (0.38) MAP3K12MTORPIK3CAMGLLTNF
SCHEMBL26917129 0.80 MAP3K12 (0.35) MAP3K12
SCHEMBL21382388 0.79 MGLL (0.36) MGLL
SCHEMBL25191949 0.78 PIK3CD (0.45) MGLLPIK3CD
SCHEMBL17609497 0.78 MGLL (0.35) MGLL
SCHEMBL3518343 0.76 MAP3K12 (0.39) MAP3K12PIK3CA
SCHEMBL25346943 0.75 PDGFRB (0.40)
SCHEMBL9902936 0.74 MGLL (0.35) MGLL
SCHEMBL29601287 0.74 GLA (0.45) MAP3K12MTORPIK3CATNFPIK3CD
SCHEMBL21031807 0.74 GLA (0.45) MAP3K12MTORPIK3CATNFPIK3CD

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