SCHEMBL29795019

SCHEMBL29795019

Fc1ccc(F)c(C2COCc3nc4ccc(-c5cnc(N6CCOCC6)nc5)cc4n32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
AOC3 Q16853 10/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TNF P01375 1/20 0.39
HIF1A Q16665 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALOX5AP P20292 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
SCHEMBL18151439 1.00 PIK3CA (0.43) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL18151655 0.86 PIK3CA (0.42) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL18151030 0.86 PIK3CA (0.42) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL18150738 0.83 AOC3 (0.43) PIK3CAMTORAOC3TNFCASP1
SCHEMBL18150795 0.83 AOC3 (0.43) PIK3CAMTORAOC3TNFCASP1
SCHEMBL18151375 0.83 AOC3 (0.43) PIK3CAMTORAOC3TNFCASP1
SCHEMBL29794877 0.83 PIK3CA (0.40) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL18152069 0.83 PIK3CA (0.40) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL18150888 0.80 AOC3 (0.40) PIK3CAMTORAOC3TNFCASP1
SCHEMBL18150896 0.78 DPP4 (0.37) PIK3CACYP11B1CYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2024182772-A2 MANNOSE 6-PHOSPHATE RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP disclosed