SCHEMBL30801173

SCHEMBL30801173

O=C1CN(C2CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)nc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 13/20 0.53
DDB1 Q16531 4/20 0.44
IKZF3 Q9UKT9 1/20 0.43
PARP1 P09874 7/20 0.42
BRD4 O60885 2/20 0.39

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
SCHEMBL24671237 0.89 CRBN (0.51) CRBNDDB1IKZF3PARP1BRD4
SCHEMBL24671244 0.88 CRBN (0.58) CRBNDDB1IKZF3PARP1BRD4
SCHEMBL30801203 0.88 CRBN (0.58) CRBNDDB1IKZF3PARP1BRD4
SCHEMBL24671242 0.87 CRBN (0.57) CRBNDDB1IKZF3PARP1BRD4
SCHEMBL24421608 0.86 CRBN (0.56) CRBNDDB1IKZF3PARP1BRD4
SCHEMBL31421641 0.86 CRBN (0.52) CRBNDDB1IKZF3PARP1
SCHEMBL31230636 0.86 CRBN (0.52) CRBNDDB1IKZF3PARP1
SCHEMBL31230794 0.86 CRBN (0.52) CRBNDDB1IKZF3PARP1
SCHEMBL25631633 0.86 CRBN (0.52) CRBNDDB1IKZF3PARP1
SCHEMBL25631627 0.86 CRBN (0.52) CRBNDDB1IKZF3PARP1

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-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed