SCHEMBL21997875

SCHEMBL21997875

CCCCOC(=O)N1CC=C(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 13/20 0.45
DDB1 Q16531 12/20 0.45
IKZF1 Q13422 1/20 0.36
IKZF2 Q9UKS7 1/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 2/20 0.35
PDK4 Q16654 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL21069325 0.86 PDK4 (0.50) CRBNDDB1JAK1PDK4
SCHEMBL26099448 0.85 CRBN (0.53) CRBNDDB1IKZF1IKZF2
SCHEMBL21998134 0.83 CRBN (0.48) CRBNDDB1MEN1KMT2A
SCHEMBL29347198 0.82 PDK4 (0.49) CRBNDDB1JAK1PDK4
SCHEMBL24607909 0.79 CRBN (0.48) CRBNDDB1PDK4
SCHEMBL29751470 0.79 CRBN (0.48) CRBNDDB1PDK4
SCHEMBL29612778 0.78 CRBN (0.43) CRBNDDB1MEN1KMT2A
SCHEMBL30225550 0.78 CRBN (0.43) CRBNDDB1MEN1KMT2A
SCHEMBL30733874 0.78 CRBN (0.42) CRBNDDB1
SCHEMBL21997877 0.77 DDB1 (0.46) CRBNDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed