SCHEMBL3971163

SCHEMBL3971163

NC(=O)c1nccc(-c2ccccc2)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
BCAT2 O15382 2/20 0.40
MAP2K3 P46734 1/20 0.38
IKBKB O14920 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CHUK O15111 1/20 0.36
IKBKE Q14164 1/20 0.36
PKMYT1 Q99640 1/20 0.36
CHEK2 O96017 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL29959318 0.94 ADORA2A (0.39) ADORA2ABCAT2MAP2K3IKBKBKDM4E
SCHEMBL945837 0.89 HPGDS (0.49) IKBKBCHEK2MKNK1HPGDS
SCHEMBL3971167 0.77 ADORA2A (0.41) ADORA2AMAP2K3IKBKBKDM4ECHUK
SCHEMBL23067311 0.76 MAP2K3 (0.50) ADORA2ABCAT2MAP2K3IKBKBKDM4E
SCHEMBL2848953 0.76 ADORA2A (0.46) ADORA2ABCAT2MAP2K3IKBKBKDM4E
SCHEMBL16741044 0.76 OPRM1 (0.34) CAMKK2GSK3B
SCHEMBL30423145 0.75 ADORA2A (0.45) ADORA2ABCAT2MAP2K3IKBKBKDM4E
SCHEMBL231896 0.73 MKNK1 (0.56) ADORA2ABCAT2MAP2K3IKBKBKDM4E
Formamide SCHEMBL29058737 0.72 ADORA2A (0.42) ADORA2ABCAT2MAP2K3IKBKBKDM4E
SCHEMBL31253002 0.71 MEN1 (0.40) ADORA2ABCAT2KDM4ERAB9A

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
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed