SCHEMBL29794870

SCHEMBL29794870

c1ccc2c(c1)COCC21COCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)nc3n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.36
PIK3R1 P27986 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 4/20 0.35
AOC3 Q16853 3/20 0.35
MAPT P10636 2/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 4/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP3A4 P08684 2/20 0.34
GLA P06280 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
TNF P01375 1/20 0.34
USP2 O75604 2/20 0.33
HPGD P15428 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
SCHEMBL18151618 1.00 PIK3CA (0.36) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL29795035 0.92 PIK3CA (0.35) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL18151312 0.92 PIK3CA (0.35) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL20313899 0.91 TNF (0.36) TNF
SCHEMBL18151403 0.90 TNF (0.37) AOC3TNF
SCHEMBL29794963 0.90 TNF (0.37) AOC3TNF
SCHEMBL29795015 0.89 PIK3CA (0.35) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL18151455 0.89 PIK3CA (0.35) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL29794949 0.89 AKT1 (0.33) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL18151076 0.89 AKT1 (0.33) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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