SCHEMBL25294762

SCHEMBL25294762

O=C(O)N1CC=C(c2ccc3c(c2)[nH]c2nc[nH]c(=O)c23)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.33
▸ LIMK2 P53671 5/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ IP6K3 Q96PC2 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ ACVR1 Q04771 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ FGFR1 P11362 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
SCHEMBL30484064 0.85 TBK1 (0.41) KIT
SCHEMBL25831065 0.85 TBK1 (0.41) KIT
SCHEMBL25296850 0.81 LIMK1 (0.39) LIMK1LIMK2LMNAMAPTKMT2A
SCHEMBL25830945 0.78 BRD4 (0.48) KIT
SCHEMBL30484036 0.78 BRD4 (0.48) KIT
SCHEMBL25262518 0.73 LIMK1 (0.41) LIMK1LIMK2LMNAMAPTKMT2A
SCHEMBL30484043 0.70 CNR1 (0.48) KIT
SCHEMBL31017627 0.70 CNR1 (0.48) KIT
SCHEMBL30484047 0.69 TBK1 (0.41) KITKDR
SCHEMBL25831072 0.69 TBK1 (0.41) KITKDR

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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