SCHEMBL17895305

SCHEMBL17895305

CNc1nc2c(C(=O)O)cccc2n2c(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.38
CHUK O15111 7/20 0.38
MIF P14174 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
DHODH Q02127 1/20 0.34
TP53 P04637 1/20 0.34
STING1 Q86WV6 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
PPM1B O75688 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
SCHEMBL22099669 0.90 LCK (0.37) IKBKBCHUKMIFYTHDC1
SCHEMBL22099685 0.86 IKBKB (0.40) IKBKBCHUKMIF
SCHEMBL17895252 0.85 MIF (0.39) IKBKBCHUKMIF
SCHEMBL17895313 0.85 PPM1B (0.39) MIFDHODHLDHALDHBPPM1B
SCHEMBL17895059 0.83 BRD4 (0.40) IKBKBCHUK
SCHEMBL17895231 0.83 MIF (0.37) IKBKBCHUKMIFYTHDC1
SCHEMBL17895092 0.82 MIF (0.37) IKBKBCHUKMIF
SCHEMBL17895199 0.80 IKBKB (0.46) IKBKBCHUKMIFTP53
SCHEMBL22099665 0.79 IKBKB (0.45) IKBKBCHUKYTHDC1
SCHEMBL17895314 0.79 IKBKB (0.45) IKBKBCHUKYTHDC1

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