SCHEMBL28003201

SCHEMBL28003201

Nc1nc(S(=O)(=O)c2ccccc2)nc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
EGFR P00533 1/20 0.40
AURKB Q96GD4 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.39
MET P08581 1/20 0.38
HTR6 P50406 2/20 0.37
JAK2 O60674 2/20 0.36
NAMPT P43490 1/20 0.36
THRB P10828 1/20 0.35
TTK P33981 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL8074581 0.71 HTR6 (0.65) KDM4EALDH1A1HTR6
SCHEMBL14274543 0.70 ADORA1 (0.51) IKBKBCHUKAURKBDYRK1AALDH1A1
SCHEMBL28040158 0.70 EGFR (0.53) IKBKBCHUKEGFRAURKBMET
SCHEMBL28110985 0.70 CYP1A2 (0.48) DYRK1AHTR6JAK2TTK
SCHEMBL5270336 0.70 MET (0.46) IKBKBCHUKEGFRAURKBKDM4E
SCHEMBL12613146 0.69 IKBKB (0.36) IKBKBCHUKEGFRAURKBDYRK1A
SCHEMBL164638 0.69 IKBKB (0.37) IKBKBCHUKKDM4EMAPTJAK2
SCHEMBL1057965 0.68 HRH4 (0.51) IKBKBCHUKAURKBDYRK1AJAK2
SCHEMBL17113643 0.67 MAPT (0.42) IKBKBCHUKKDM4EALDH1A1MAPT
SCHEMBL28111579 0.67 TTK (0.39) IKBKBCHUKAURKBDYRK1AJAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817561-A Piperidine inhibitors of Janus Kinase 3 AUSPEX PHARMACEUTICALS LLC 2015-08-05 CN disclosed
CN-102459270-B Piperidine inhibitors of janus kinase 3 AUSPEX PHARMACEUTICALS LLC 2015-04-29 CN disclosed
CN-102459270-A Piperidine inhibitors of janus kinase 3 AUSPEX PHARMACEUTICALS LLC 2012-05-16 CN disclosed