SCHEMBL17895249

SCHEMBL17895249

CC(C)(C)OC(=O)CNc1nc2ccccc2n2c(Br)cnc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
BRD4 O60885 15/20 0.49
KDM4E B2RXH2 1/20 0.43
IKBKB O14920 1/20 0.42
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
LCK P06239 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
SCHEMBL22099692 0.85 BRD4 (0.69) BRD4
SCHEMBL22099672 0.83 ALDH1A1 (0.47) ALDH1A1BRD4IKBKBLCK
SCHEMBL28455718 0.83 BRD4 (0.70) BRD4
SCHEMBL22099674 0.82 BRD4 (0.71) BRD4
SCHEMBL17895236 0.80 ALDH1A1 (0.44) ALDH1A1BRD4KDM4E
SCHEMBL17895294 0.79 MAPK8 (0.57) ALDH1A1BRD4KDM4EIKBKB
SCHEMBL17895172 0.77 ALDH1A1 (0.43) ALDH1A1BRD4IKBKBLCK
SCHEMBL22099691 0.77 BRD4 (0.43) BRD4IKBKB
SCHEMBL17895254 0.76 BRD4 (0.50) BRD4IKBKB
SCHEMBL121917 0.75 KMT2A (0.49) BRD4IKBKBLCK

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