SCHEMBL28707091

SCHEMBL28707091

NC(=O)OCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.57
▸ BRD4 O60885 3/20 0.56
▸ IKZF1 Q13422 2/20 0.56
▸ IKZF3 Q9UKT9 2/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL1B P01584 1/20 0.56
▸ DDB1 Q16531 1/20 0.56
▸ MAP1LC3B Q9GZQ8 3/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.51

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
SCHEMBL28907406 0.95 CRBN (0.55) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL28907397 0.91 CRBN (0.54) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL13584375 0.89 CRBN (0.63) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL28612530 0.88 CRBN (0.60) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL26321010 0.88 CRBN (0.64) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL26321021 0.88 CRBN (0.64) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL19438857 0.88 CRBN (0.55) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL19438825 0.88 CRBN (0.55) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL20913661 0.88 CRBN (0.55) CRBNBRD4IKZF1IKZF3TNF
SCHEMBL30577345 0.88 CRBN (0.55) CRBNBRD4IKZF1IKZF3TNF

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-110204543-B Pyrrolopyridinone bifunctional molecular compound based on Cereblon ligand induced BET degradation 江苏省中医药研究院 2022-03-29 — — CN disclosed
Send feedback