SCHEMBL24671532

SCHEMBL24671532

CC12Cc3[nH]nc(-c4cc5cc(F)c(C(=O)N6CCN(CC7CCN(c8ccccc8)CC7)CC6)cc5[nH]4)c3CC1C2(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.38
▸ PARP1 P09874 8/20 0.38
▸ IL2 P60568 1/20 0.37
▸ PIP5K1C O60331 4/20 0.33
▸ VCP P55072 2/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL24671700 0.90 ITK (0.39) ITKPARP1IL2PIP5K1CCHEK1
SCHEMBL24670156 0.90 ITK (0.39) ITKPARP1IL2PIP5K1CVCP
SCHEMBL31055474 0.89 ITK (0.35) ITKPARP1IL2
SCHEMBL31055490 0.89 ITK (0.35) ITKPARP1IL2
SCHEMBL24671472 0.89 ITK (0.35) ITKPARP1IL2
SCHEMBL24671450 0.89 ITK (0.35) ITKPARP1IL2
SCHEMBL24671473 0.89 ITK (0.35) ITKPARP1IL2
SCHEMBL24671655 0.88 ITK (0.34) ITKPARP1IL2
SCHEMBL24671485 0.86 ITK (0.34) ITKPARP1IL2
SCHEMBL24671189 0.86 ITK (0.34) ITKPARP1IL2

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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