SCHEMBL7028646

SCHEMBL7028646

CS(=O)(=O)Oc1ccnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.49
CHUK O15111 6/20 0.49
PRKCI P41743 3/20 0.46
AXL P30530 1/20 0.46
NUDT1 P36639 1/20 0.44
BRD4 O60885 1/20 0.43
AURKB Q96GD4 2/20 0.41
ROCK1 Q13464 2/20 0.41
PTK2 Q05397 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL1776911 0.80 PRKCI (0.42) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL30353820 0.80 PRKCI (0.42) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL27634823 0.80 PRKCI (0.42) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL29424797 0.78 BRD4 (0.60) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL298491 0.78 BRD4 (0.60) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL12605417 0.76 IKBKB (0.45) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL28028675 0.75 IKBKB (0.52) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL2992617 0.75 NUDT1 (0.55) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL27616079 0.74 NUDT1 (0.51) IKBKBCHUKPRKCIAXLNUDT1
SCHEMBL2986157 0.73 CIT (0.50) IKBKBCHUKPRKCIAXLNUDT1

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-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed