SCHEMBL30801255

SCHEMBL30801255

C[C@@H](C(=O)N(C)c1cc2[nH]c(-c3n[nH]c4c3CCC(C)(C)C4)cc2cc1F)N1CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 20/20 0.51
▸ IL2 P60568 5/20 0.44

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
SCHEMBL29207788 0.91 ITK (0.52) ITKIL2
SCHEMBL24671478 0.91 ITK (0.52) ITKIL2
SCHEMBL30066383 0.91 ITK (0.52) ITKIL2
SCHEMBL24671735 0.91 ITK (0.51) ITKIL2
SCHEMBL30066413 0.90 ITK (0.48) ITKIL2
SCHEMBL29207820 0.90 ITK (0.48) ITKIL2
SCHEMBL24670152 0.90 ITK (0.48) ITKIL2
SCHEMBL30066596 0.79 ITK (0.47) ITKIL2
SCHEMBL24670081 0.79 ITK (0.69) ITKIL2
SCHEMBL13559070 0.78 ITK (0.70) ITKIL2

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
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