SCHEMBL24671189

SCHEMBL24671189

C[C@@]12Cc3[nH]nc(-c4cc5cc(F)c(C(=O)N6CCN(C[C@H]7CCN(c8ccc(C9CCC(=O)NC9=O)cc8)C7)CC6)cc5[nH]4)c3C[C@@H]1C2(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.34
▸ IL2 P60568 1/20 0.33
▸ PARP1 P09874 1/20 0.31
▸ CRBN Q96SW2 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL24671485 1.00 ITK (0.34) ITKIL2PARP1CRBNBTK
SCHEMBL31055476 1.00 ITK (0.34) ITKIL2PARP1CRBNBTK
SCHEMBL31055539 1.00 ITK (0.34) ITKIL2PARP1CRBNBTK
SCHEMBL31055474 0.97 ITK (0.35) ITKIL2PARP1CRBN
SCHEMBL24671472 0.97 ITK (0.35) ITKIL2PARP1CRBN
SCHEMBL24671450 0.97 ITK (0.35) ITKIL2PARP1CRBN
SCHEMBL24671473 0.97 ITK (0.35) ITKIL2PARP1CRBN
SCHEMBL31055490 0.97 ITK (0.35) ITKIL2PARP1CRBN
SCHEMBL24670158 0.91 ITK (0.35) ITKIL2CRBNBTK
SCHEMBL24671345 0.91 ITK (0.35) ITKIL2CRBNBTK

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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