SCHEMBL25427872

SCHEMBL25427872

CC(C)(C)OC(=O)N1CC=C(c2ccc3c4c(Cl)ncnc4n(C(=O)O)c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MKNK1 Q9BUB5 3/20 0.34
▸ KIT P10721 5/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ SRC P12931 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL30484104 0.95 NAMPT (0.35) NAMPTMKNK1KITTBK1SRC
SCHEMBL25831080 0.95 NAMPT (0.35) NAMPTMKNK1KITTBK1SRC
SCHEMBL30484047 0.79 TBK1 (0.41) NAMPTMKNK1KITTBK1CNR1
SCHEMBL25831072 0.79 TBK1 (0.41) NAMPTMKNK1KITTBK1CNR1
SCHEMBL25250155 0.78 TLR9 (0.43) NAMPTSRCEGFRPIK3CDCNR1
SCHEMBL25260977 0.77 PDE4B (0.46) SRCEGFRPIK3CD
SCHEMBL25296825 0.73 TLR9 (0.45) NAMPTSRCEGFRPIK3CDCNR1
SCHEMBL22608963 0.72 NAMPT (0.43) NAMPTTBK1GRM5GRM1PDK4
SCHEMBL30484134 0.72 TLR9 (0.44) NAMPTPOLBPIK3CDCNR1
SCHEMBL30545737 0.71 GRM5 (0.43) NAMPTTBK1POLBGRM5GRM1

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-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
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