SCHEMBL17895101

SCHEMBL17895101

N#Cc1cccc2c1nc(NCCCCCCN)c1ncc(-c3ccc(O)c(O)c3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
IKBKB O14920 6/20 0.32
CHUK O15111 6/20 0.32
SYK P43405 2/20 0.32
MIF P14174 1/20 0.32
TTK P33981 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
AURKB Q96GD4 2/20 0.32
ERN1 O75460 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
CDK1 P06493 1/20 0.32
KIT P10721 1/20 0.32
CDK11B P21127 1/20 0.32
CDK2 P24941 1/20 0.32
TYK2 P29597 1/20 0.32
CSNK1D P48730 1/20 0.32
CDK7 P50613 1/20 0.32

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
SCHEMBL17895067 0.97 BRD4 (0.37) BRD4IKBKBCHUKSYKMIF
SCHEMBL17895295 0.93 IKBKB (0.37) BRD4IKBKBCHUKSYKMIF
SCHEMBL17895225 0.88 BRD4 (0.42) BRD4HSP90AA1HSP90AB1IKBKBCHUK
SCHEMBL17895268 0.85 BRD4 (0.41) BRD4IKBKBCHUKSYKAURKB
SCHEMBL17895059 0.85 BRD4 (0.40) BRD4HSP90AA1HSP90AB1IKBKBCHUK
SCHEMBL17895202 0.84 BRD4 (0.39) BRD4IKBKBCHUKSYKMIF
SCHEMBL17895072 0.83 BRD4 (0.49) BRD4IKBKBCHUKAURKBERN1
SCHEMBL17895092 0.83 MIF (0.37) IKBKBCHUKSYKMIFIRAK4
SCHEMBL17895203 0.83 IKBKB (0.42) BRD4IKBKBCHUKSYKAURKB
SCHEMBL17895207 0.83 BRD4 (0.41) BRD4IKBKBCHUKSYKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240789-B1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIV MONTPELLIER (FR) 2020-07-29 EP claimed
EP-3240789-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER Université de Montpellier (FR) 2017-11-08 EP claimed
WO-2016107895-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIVERSITE DE MONTPELLIER (FR) 2016-07-07 WO claimed
EP-3240789-B1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIV MONTPELLIER (FR) 2020-07-29 EP disclosed
EP-3240789-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER Université de Montpellier (FR) 2017-11-08 EP disclosed
WO-2016107895-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIVERSITE DE MONTPELLIER (FR) 2016-07-07 WO disclosed