SCHEMBL17895202

SCHEMBL17895202

NCCCNc1nc2c(N)cccc2n2c(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.36
MIF P14174 1/20 0.35
IKBKB O14920 8/20 0.35
CHUK O15111 8/20 0.35
ERN1 O75460 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
CDK1 P06493 1/20 0.34
KIT P10721 1/20 0.34
CDK11B P21127 1/20 0.34
CDK2 P24941 1/20 0.34
TYK2 P29597 1/20 0.34
CSNK1D P48730 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK16 Q00536 1/20 0.34
MAPK7 Q13164 1/20 0.34
CDK13 Q14004 1/20 0.34

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
SCHEMBL17895225 0.96 BRD4 (0.42) BRD4IRAK4MIFIKBKBCHUK
SCHEMBL17895179 0.94 IKBKB (0.39) BRD4MIFIKBKBCHUKERN1
SCHEMBL17895067 0.87 BRD4 (0.37) BRD4IRAK4MIFIKBKBCHUK
SCHEMBL17895194 0.87 BRD4 (0.39) BRD4IRAK4IKBKBCHUKERN1
SCHEMBL17895187 0.87 BRD4 (0.37) BRD4IRAK4MIFIKBKBCHUK
SCHEMBL17895237 0.85 BRD4 (0.47) BRD4IKBKBCHUKERN1RPS6KA4
SCHEMBL22099693 0.85 BRD4 (0.41) BRD4IKBKBCHUKCDK11BCSNK1D
SCHEMBL17895252 0.84 MIF (0.39) MIFIKBKBCHUK
SCHEMBL17895268 0.84 BRD4 (0.41) BRD4IKBKBCHUKERN1RPS6KA4
SCHEMBL17895101 0.84 BRD4 (0.40) BRD4IRAK4MIFIKBKBCHUK

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