SCHEMBL4600379

SCHEMBL4600379

O=C(NCCN1CCOCC1)c1ccccc1Nc1ncc(Br)s1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCL3 P20749 6/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM5B Q9UGL1 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL4614085 0.82 CD274 (0.56) ALDH1A1
SCHEMBL8167729 0.76 KMT2A (0.66) BCL3ALDH1A1MEN1KMT2A
SCHEMBL16430973 0.73 POLB (0.87) BCL3ALDH1A1GAAHTTKMT2A
SCHEMBL29849958 0.73 POLB (0.87) BCL3ALDH1A1GAAHTTKMT2A
SCHEMBL31298077 0.72 KMT2A (0.67) BCL3ALDH1A1KDM5BMEN1KMT2A
SCHEMBL4600038 0.72 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLB
SCHEMBL17554115 0.72 POLB (0.69) BCL3ALDH1A1KDM5BGAAHTT
SCHEMBL29849775 0.72 BCL3 (1.00) BCL3ALDH1A1GAAHTTKMT2A
SCHEMBL16431474 0.72 BCL3 (0.76) BCL3ALDH1A1GAAHTTMEN1
SCHEMBL17554105 0.72 HTT (0.82) BCL3ALDH1A1GAAHTTKMT2A

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-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 — — EP claimed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 — — WO claimed
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