SCHEMBL6247249

SCHEMBL6247249

N#Cc1ccc(N2CCN(CC(O)COc3ccc(-c4nc5cc(Br)cnc5[nH]4)cc3)CC2)nc1.OC(CNc1nccs1)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RET P07949 1/20 0.34
AURKA O14965 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KCNA5 P22460 1/20 0.33
HSP90AB1 P08238 1/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4840594 0.90 NPSR1 (0.46) KDM4ENPSR1USP2MAPK1HTT
Trifluoroacetic Acid SCHEMBL4842199 0.84 KMT2A (0.44) KDM4ENPSR1USP2MAPK1HTT
SCHEMBL4833883 0.83
SCHEMBL6245171 0.80 NPSR1 (0.37) KDM4ENPSR1USP2MAPK1HTT
SCHEMBL5259755 0.79 KDM4E (0.63) KDM4ENPSR1USP2MAPK1HTT
SCHEMBL4838091 0.78 NPSR1 (0.49) KDM4ENPSR1USP2MAPK1HTT
SCHEMBL4844672 0.78 DRD2 (0.45)
SCHEMBL4843775 0.77 HSP90AB1 (0.57) KDM4ENPSR1USP2MAPK1HTT
Trifluoroacetic Acid SCHEMBL4834350 0.77 SCD (0.36) MAPK1
SCHEMBL4835082 0.76 NPSR1 (0.45) KDM4ENPSR1USP2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed