SCHEMBL25035481

SCHEMBL25035481

NC1CCN(C(=O)CCN2CCN(c3ccnc(C4CCC(=O)NC4=O)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.41
HTR1A P08908 7/20 0.41
CRBN Q96SW2 5/20 0.40
DDB1 Q16531 4/20 0.40
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
IRAK1 P51617 1/20 0.36
NTRK3 Q16288 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IRAK3 Q9Y616 1/20 0.36
ADAMTS5 Q9UNA0 3/20 0.35
MMP2 P08253 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
SCHEMBL25256962 0.88 HTR7 (0.39) HTR7HTR1ACRBNDDB1CCNC
SCHEMBL25825148 0.86 CRBN (0.45) CRBNDDB1
SCHEMBL25031321 0.84 HTR1A (0.49) HTR7HTR1ACRBNDDB1ADAMTS5
SCHEMBL25825109 0.83 CRBN (0.42) CRBNDDB1CCNCCDK8IRAK1
SCHEMBL25031287 0.83 HTR7 (0.46) HTR7HTR1ACRBNDDB1ADAMTS5
SCHEMBL25024437 0.82 CRBN (0.47) HTR7HTR1ACRBNDDB1
SCHEMBL25824646 0.80 ADAMTS5 (0.40) HTR7HTR1ACRBNCCNCCDK8
SCHEMBL25034991 0.77 CRBN (0.39) HTR7HTR1ACRBNDDB1
SCHEMBL30938263 0.77 CRBN (0.62) CRBNDDB1CCNCCDK8IRAK1
SCHEMBL29179838 0.77 DDB1 (0.51) HTR7HTR1ACRBNDDB1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed