SCHEMBL17895294

SCHEMBL17895294

CC(C)(C)OC(=O)CNc1nc2ccccc2n2ccnc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.57
ALDH1A1 P00352 2/20 0.47
BRD4 O60885 7/20 0.46
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
IKBKB O14920 1/20 0.40

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
SCHEMBL28466382 0.84 BRD4 (0.66) MAPK8BRD4
SCHEMBL22099666 0.83 MAPK8 (0.69) MAPK8ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL28463722 0.83 BRD4 (0.67) MAPK8BRD4
SCHEMBL28459026 0.82 BRD4 (0.68) MAPK8BRD4
SCHEMBL17895249 0.79 ALDH1A1 (0.51) ALDH1A1BRD4KDM4EIKBKB
SCHEMBL30473266 0.76 BRD4 (0.48) MAPK8BRD4HTR3EHTR3BHTR3A
SCHEMBL17894988 0.76 MAPK8 (0.49) MAPK8ALDH1A1BRD4HTR3EHTR3B
SCHEMBL8103067 0.75 MAPK8 (0.73) MAPK8ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL8118265 0.75 MAPK8 (0.73) MAPK8ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL17895299 0.75 MAPK8 (0.69) MAPK8BRD4HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107454900-B Novel imidazo [1,2-A ] quinoxalines and derivatives thereof for the treatment of cancer 蒙彼利埃大学 2020-08-07 CN disclosed
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