SCHEMBL30801203

SCHEMBL30801203

O=C1CCN(c2ccc(C(=O)NC3CCC(=O)NC3=O)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.58
DDB1 Q16531 5/20 0.49
IKZF3 Q9UKT9 1/20 0.47
BRD4 O60885 2/20 0.43
PARP1 P09874 1/20 0.41

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
SCHEMBL24671244 1.00 CRBN (0.58) CRBNDDB1IKZF3BRD4PARP1
SCHEMBL30903885 0.90 CRBN (0.57) CRBNDDB1IKZF3BRD4
SCHEMBL20436991 0.90 CRBN (0.57) CRBNDDB1IKZF3BRD4
SCHEMBL24671242 0.90 CRBN (0.57) CRBNDDB1IKZF3BRD4PARP1
SCHEMBL27238859 0.90 CRBN (0.57) CRBNDDB1IKZF3BRD4
SCHEMBL31756551 0.90 CRBN (0.57) CRBNDDB1IKZF3BRD4
Hydrochloric Acid SCHEMBL30720178 0.89 CRBN (0.56) CRBNDDB1IKZF3BRD4
SCHEMBL24421608 0.89 CRBN (0.56) CRBNDDB1IKZF3BRD4PARP1
Hydrochloric Acid SCHEMBL31759276 0.89 CRBN (0.56) CRBNDDB1IKZF3BRD4
SCHEMBL24671188 0.89 CRBN (0.55) CRBNDDB1IKZF3BRD4PARP1

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