SCHEMBL26108232

SCHEMBL26108232

CNc1cc(Cl)ncc1C(=O)NNC(=O)C1CCC(NC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 16/20 0.41
▸ ABL1 P00519 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL26108220 1.00 IRAK4 (0.41) IRAK4ABL1L3MBTL1LMNA
SCHEMBL26108414 0.89 L3MBTL1 (0.40) IRAK4ABL1L3MBTL1LMNA
SCHEMBL26108421 0.89 L3MBTL1 (0.40) IRAK4ABL1L3MBTL1LMNA
SCHEMBL30569017 0.86 BTK (0.40) IRAK4
SCHEMBL25143665 0.86 IRAK4 (0.41) IRAK4ABL1L3MBTL1LMNA
SCHEMBL30201649 0.86 IRAK4 (0.41) IRAK4ABL1L3MBTL1LMNA
SCHEMBL26111654 0.85 L3MBTL1 (0.40) IRAK4ABL1L3MBTL1LMNA
SCHEMBL31436648 0.83 IRAK4 (0.46) IRAK4
SCHEMBL26598787 0.83 IRAK4 (0.46) IRAK4
SCHEMBL26107977 0.82 KDM4E (0.39) L3MBTL1

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-2023186069-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-10-05 — — WO disclosed
Send feedback