SCHEMBL29794883

SCHEMBL29794883

CC(O)C(=O)N1CCN(c2ncc(-c3ccc4nc5n(c4n3)C3(CCc4ccccc43)COC5)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
PIK3CA P42336 11/20 0.32
PIK3R1 P27986 5/20 0.32
MTOR P42345 4/20 0.32
MAPT P10636 1/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CG P48736 1/20 0.31
AKT1 P31749 1/20 0.30
TIPARP Q7Z3E1 1/20 0.30

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
SCHEMBL18151261 1.00 TNF (0.37) TNFPIK3CAPIK3R1MTORMAPT
SCHEMBL20313869 0.89 TNF (0.38) TNFPIK3CAMTORMAPTPIK3CD
SCHEMBL29794887 0.88 TNF (0.38) TNFMAPT
SCHEMBL18151635 0.88 TNF (0.38) TNFMAPT
SCHEMBL18151312 0.85 PIK3CA (0.35) TNFPIK3CAPIK3R1MTORMAPT
SCHEMBL29795035 0.85 PIK3CA (0.35) TNFPIK3CAPIK3R1MTORMAPT
SCHEMBL18159853 0.84 TNF (0.37) TNF
SCHEMBL29794949 0.83 AKT1 (0.33) TNFPIK3CAPIK3R1MTORMAPT
SCHEMBL18151076 0.83 AKT1 (0.33) TNFPIK3CAPIK3R1MTORMAPT
SCHEMBL18151320 0.82 TNF (0.34) TNF

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 4 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
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