SCHEMBL16720892

SCHEMBL16720892

Oc1c[c]ccc1-c1ccnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 6/20 0.49
IKBKB O14920 3/20 0.49
CHUK O15111 3/20 0.49
AURKB Q96GD4 3/20 0.49
IGF1R P08069 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49

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
SCHEMBL2240671 0.79 AURKB (0.71) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL857435 0.78 IKBKB (0.63) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL16719631 0.78 CDC7 (0.51) DAPK3MAP4K4RETPRKACACDK8
Water SCHEMBL29822295 0.73 PRKCI (0.57) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL16719560 0.73 PIK3CD (0.44)
SCHEMBL16720891 0.72 NUDT1 (0.51) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL1269968 0.71 PRKCI (0.59) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL31065020 0.70 IKBKB (0.70) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL4771643 0.70 IKBKB (0.70) NUDT1IKBKBCHUKAURKBIGF1R
SCHEMBL16720661 0.69 BRD4 (0.38) NUDT1AXL

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed