SCHEMBL27039411

SCHEMBL27039411

O=C1CCN(c2ccc(NC(=O)C3CCNCC3)cc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 6/20 0.49
▸ CRBN Q96SW2 6/20 0.49
▸ ULK1 O75385 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ PRKCQ Q04759 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL27040326 0.99 DDB1 (0.48) DDB1CRBNULK1SIRT2PRKCQ
SCHEMBL27039385 0.80 PTPN2 (0.65) DDB1CRBNALDH1A1ABL1LMNA
Hydrochloric Acid SCHEMBL30828432 0.77 CRBN (0.56) DDB1CRBNALDH1A1AURKBKDM4E
SCHEMBL27039404 0.76 PTPN1 (0.45) DDB1CRBNABL1
SCHEMBL24481148 0.76 CRBN (0.55) DDB1CRBNALDH1A1LMNAKDM4E
SCHEMBL22144563 0.75 CRBN (0.58) DDB1CRBN
SCHEMBL2717891 0.74 ULK1 (0.60) ULK1SIRT2FLT3LMNAKDM4E
SCHEMBL29794453 0.74 DDB1 (0.50) DDB1CRBNALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL22119523 0.74 CRBN (0.56) DDB1CRBNHPGD
Acetic Acid SCHEMBL7374818 0.73 ALDH1A1 (0.55) SIRT2ITGB3ITGA2BALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 — — EP disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 — — WO disclosed
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