SCHEMBL24669945

SCHEMBL24669945

C[C@@]12Cc3c(c(-c4cc5ccc(C(=O)O)cc5[nH]4)nn3C3CCCCO3)C[C@@H]1C2(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.38
▸ KDR P35968 3/20 0.38
▸ ITK Q08881 5/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.33
▸ IL2 P60568 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ ABL1 P00519 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
SCHEMBL30066213 1.00 RET (0.38) RETKDRITKCASP3SENP8
SCHEMBL30801213 0.97 ITK (0.37) RETKDRITKCASP3SENP8
SCHEMBL30066227 0.88 ITK (0.31) ITKIL2
SCHEMBL24670748 0.88 ITK (0.31) ITKIL2
SCHEMBL30066236 0.88 ITK (0.31) ITKIL2
SCHEMBL24671283 0.87 RET (0.33) RETKDRITKABL1
SCHEMBL24670121 0.87 RET (0.33) RETKDRITKABL1
SCHEMBL29990667 0.87 RET (0.33) RETKDRITKABL1
SCHEMBL24669865 0.87 HDAC4 (0.34) RETKDRCHEK2ABL1
SCHEMBL30863346 0.85 ITK (0.42) RETITKIL2

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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