SCHEMBL30938263

SCHEMBL30938263

NC1CCN(C(=O)CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 17/20 0.62
IRAK1 P51617 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.51
IRAK3 Q9Y616 2/20 0.51
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
NTRK3 Q16288 1/20 0.51
HASPIN Q8TF76 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
DDB1 Q16531 8/20 0.49
HPGDS O60760 2/20 0.47
BTK Q06187 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CHRM2 P08172 1/20 0.45
OPRM1 P35372 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL26814219 1.00 CRBN (0.62) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815469 0.95 CRBN (0.60) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815047 0.95 CRBN (0.60) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26814209 0.92 CRBN (0.65) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL22940923 0.91 CRBN (0.67) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815056 0.90 CRBN (0.58) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815070 0.89 CRBN (0.57) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26814133 0.89 CRBN (0.71) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL26815117 0.89 CRBN (0.63) CRBNIRAK1IRAK4IRAK3CCNC
SCHEMBL26815156 0.87 CRBN (0.61) CRBNIRAK1IRAK4IRAK3CCNC

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
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed