SCHEMBL29990936

SCHEMBL29990936

C[C@@]12Cc3[nH]nc(-c4cc5ccc(C(=O)N6CCNCC6)cc5[nH]4)c3C[C@@H]1C2(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 6/20 0.44
▸ IL2 P60568 1/20 0.42
▸ KDR P35968 1/20 0.40
▸ PIP5K1C O60331 7/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ GPR183 P32249 1/20 0.35

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
SCHEMBL24671834 1.00 ITK (0.44) ITKIL2KDRPIP5K1CTLR9
SCHEMBL24671679 1.00 ITK (0.44) ITKIL2KDRPIP5K1CTLR9
SCHEMBL30066409 0.93 KDR (0.45) ITKIL2KDRPIP5K1CTLR9
SCHEMBL24671193 0.93 KDR (0.45) ITKIL2KDRPIP5K1CTLR9
SCHEMBL30066326 0.93 ITK (0.42) ITKIL2KDRPIP5K1C
SCHEMBL30066232 0.93 ITK (0.42) ITKIL2KDRPIP5K1C
SCHEMBL24669867 0.93 ITK (0.42) ITKIL2KDRPIP5K1C
SCHEMBL24671438 0.93 ITK (0.43) ITKIL2KDRPIP5K1CRIPK1
SCHEMBL24670186 0.90 ITK (0.41) ITKIL2PIP5K1CGPR183
SCHEMBL30066501 0.90 ITK (0.41) ITKIL2PIP5K1CGPR183

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
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
WO-2022235698-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, 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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