SCHEMBL30569022

SCHEMBL30569022

[2H]C([2H])([2H])Nc1cc(Cl)ncc1C(=O)NNC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL26108414 0.92 L3MBTL1 (0.40) L3MBTL1ABL1LMNAMAPTIRAK4
SCHEMBL26108421 0.92 L3MBTL1 (0.40) L3MBTL1ABL1LMNAMAPTIRAK4
SCHEMBL30569055 0.89 IRAK4 (0.40) L3MBTL1ABL1LMNAIRAK4GSK3B
SCHEMBL26111654 0.81 L3MBTL1 (0.40) L3MBTL1ABL1LMNAMAPTIRAK4
SCHEMBL26108220 0.81 IRAK4 (0.41) L3MBTL1ABL1LMNAIRAK4
SCHEMBL26108232 0.81 IRAK4 (0.41) L3MBTL1ABL1LMNAIRAK4
SCHEMBL25143665 0.81 IRAK4 (0.41) L3MBTL1ABL1LMNAMAPTIRAK4
SCHEMBL30201649 0.81 IRAK4 (0.41) L3MBTL1ABL1LMNAMAPTIRAK4
SCHEMBL26107977 0.79 KDM4E (0.39) L3MBTL1MAPTKDM4EALDH1A1POLB
SCHEMBL30678684 0.77 L3MBTL1 (0.39) L3MBTL1ABL1LMNAMAPTIRAK4

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
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