SCHEMBL29197706

SCHEMBL29197706

Cn1nc(O)c2ccc(C3CCN(C(=O)O)CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 4/20 0.45
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TLR9 Q9NR96 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ SPR P35270 1/20 0.34

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
SCHEMBL23212079 0.73 PDE1C (0.47) QDPRHDAC4FASN
SCHEMBL30014089 0.72 SOS1 (0.46) QDPRIKBKETBK1TLR8TLR7
SCHEMBL25447031 0.72 KDM4E (0.48) TLR8TLR7TLR9
SCHEMBL29976770 0.72 DDB1 (0.59) IKBKETBK1HDAC4
SCHEMBL23122328 0.72 QDPR (0.56) QDPRKCNH2HRH3SPR
SCHEMBL23122840 0.72 QDPR (0.56) QDPRKCNH2HRH3SPR
SCHEMBL17395592 0.72 QDPR (0.60) QDPRTLR8TLR7KCNH2HRH3
SCHEMBL23858337 0.72 QDPR (0.60) QDPRTLR8TLR7KCNH2HRH3
SCHEMBL26637229 0.71 CRBN (0.60) —
SCHEMBL26636823 0.71 CRBN (0.60) —

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
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 — — CN disclosed
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