SCHEMBL456971

SCHEMBL456971

Brc1nc2cccnn2c1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.37
PDE4A P27815 11/20 0.36
DYRK1A Q13627 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
PDE10A Q9Y233 1/20 0.33
AHR P35869 1/20 0.33
PDE4B Q07343 10/20 0.32
PDE4C Q08493 10/20 0.32
PDE4D Q08499 10/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL1745964 0.80 PDE4A (0.48) MKNK1PDE4ADYRK1APDE10AAHR
SCHEMBL22189751 0.76 AKT1 (0.48) PDE4ARIPK3PDE4BPDE4CPDE4D
SCHEMBL1746576 0.74 MKNK1 (0.49) MKNK1PDE4ARIPK3PDE4BPDE4C
SCHEMBL2068562 0.73 PDE4B (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL2066630 0.73 CA1 (0.36) MKNK1PDE4APDE4BPDE4CPDE4D
SCHEMBL3948112 0.73 RIPK3 (0.34) MKNK1PDE4ARIPK3AKT1AKT2
SCHEMBL3948108 0.72 ALOX5 (0.36) PDE4ARIPK3PDE4BPDE4CPDE4D
SCHEMBL17492375 0.68 PDE4B (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL477032 0.67 MKNK1 (0.53) MKNK1PDE4ADYRK1APDE4BPDE4D
SCHEMBL10437261 0.67 PDE10A (0.41) MKNK1PDE4APDE10APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3007698-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198776-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed