SCHEMBL26095400

SCHEMBL26095400

O=C1CCC(N2Cc3c(cc(F)c(F)c3N3[C@@H]4CC[C@H]3CNC4)C2=O)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.47
▸ IKZF1 Q13422 4/20 0.47
▸ IKZF3 Q9UKT9 3/20 0.47
▸ DDB1 Q16531 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ IL1B P01584 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.43
▸ IKZF2 Q9UKS7 3/20 0.42

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
SCHEMBL30352125 1.00 CRBN (0.47) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31033678 0.95 CRBN (0.47) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31033916 0.93 CRBN (0.48) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31033577 0.90 CRBN (0.47) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL26094849 0.90 CRBN (0.47) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31033591 0.88 CRBN (0.47) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31033879 0.87 CRBN (0.54) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL26093301 0.87 CRBN (0.54) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL31034083 0.82 CRBN (0.48) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL30352232 0.82 CRBN (0.43) CRBNIKZF1IKZF3DDB1BRD4

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
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
Send feedback