SCHEMBL13425342

SCHEMBL13425342

CCOc1cc(Nc2cc(Br)cn(C)c2=O)ccc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ PTK6 Q13882 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL13139768 0.93 DUT (0.34) DUTBRD4BRDTCA12CA1
SCHEMBL13589878 0.78 SYK (0.31) DUT
SCHEMBL13139762 0.77 BTK (0.35) DUT
SCHEMBL13178751 0.77 MAP2K1 (0.37) BRD4BRDTMAPTHSD17B10FBP1
SCHEMBL15329954 0.74 DUT (0.35) DUT
SCHEMBL28380295 0.70 DUT (0.31) DUT
SCHEMBL30967300 0.70 HPGD (0.39) DUTALDH1A1KDM4EHPGDHTT
SCHEMBL30967302 0.70 HPGD (0.39) DUTALDH1A1KDM4EHPGDHTT
SCHEMBL29741989 0.68 BTK (0.42) —
SCHEMBL14912786 0.68 BTK (0.42) —

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
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 — — US disclosed
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