SCHEMBL17895236

SCHEMBL17895236

COc1ccc(-c2cnc3c(NCC(=O)OC(C)(C)C)nc4ccccc4n23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
BRD4 O60885 6/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
ADORA1 P30542 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAK O14976 1/20 0.38

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
SCHEMBL22099683 0.88 MAOA (0.48) ALDH1A1MAOAMAOBTP53MAPT
SCHEMBL19786796 0.87 BRD4 (0.59) BRD4
SCHEMBL19786872 0.86 BRD4 (0.61) BRD4
SCHEMBL17895300 0.85 MAOA (0.42) ALDH1A1BRD4MAOAMAOBTP53
SCHEMBL19786886 0.84 MAOA (0.42) ALDH1A1BRD4MAOAMAOBTP53
SCHEMBL17895201 0.82 MAOA (0.48) ALDH1A1BRD4MAOAMAOBTP53
SCHEMBL19786882 0.82 MAOA (0.41) ALDH1A1BRD4MAOAMAOBTP53
SCHEMBL19786887 0.82 KDM4E (0.41) ALDH1A1BRD4MAOAMAOBTP53
SCHEMBL19771236 0.82 BRD4 (0.61) BRD4
SCHEMBL17895191 0.81 BRD4 (0.49) BRD4MAOAMAOBTP53MAPT

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 3 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 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