SCHEMBL11435889

SCHEMBL11435889

CN(c1ccc(O)cc1)c1ncc(Br)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
FYN P06241 1/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL11434967 0.76 BACE1 (0.37) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL855885 0.75 HTT (0.43) DYRK1ADYRK1BMAPTKMT2ANPC1
SCHEMBL11429685 0.74 MEN1 (0.38) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL9682919 0.70 EGFR (0.43) KMT2AALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL11435307 0.69 MAPK1 (0.46) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL25355933 0.68 ALOX15 (0.62) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL29969018 0.67 HRH3 (0.39) DYRK1ADYRK1BMAPTKMT2AALDH1A1
SCHEMBL21513740 0.67 HRH3 (0.39) DYRK1ADYRK1BMAPTKMT2AALDH1A1
SCHEMBL926427 0.65 APP (0.52) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL21513743 0.65 KMT2A (0.34) MAPTKMT2AALDH1A1MEN1HTT

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
EP-0013145-A2 Substituted anilinopyridines, processes for their preparation and intermediates for use therein, compositions and herbicidal use thereof ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed