SCHEMBL24671682

SCHEMBL24671682

CC12Cc3[nH]nc(-c4cc5ccc(C(=O)N6CC7CCC(C6)N7)cc5[nH]4)c3CC1C2(F)F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 8/20 0.41
▸ IL2 P60568 1/20 0.40
▸ PIP5K1C O60331 11/20 0.37

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
SCHEMBL30066381 1.00 ITK (0.41) ITKIL2PIP5K1C
SCHEMBL24671681 1.00 ITK (0.41) ITKIL2PIP5K1C
SCHEMBL24671834 0.88 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL29990936 0.88 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24671679 0.88 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24671438 0.87 ITK (0.43) ITKIL2PIP5K1C
SCHEMBL30066326 0.86 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL30066232 0.86 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL24669867 0.86 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL30066399 0.85 ITK (0.48) ITKIL2PIP5K1C

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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