SCHEMBL13985647

SCHEMBL13985647

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
DGAT1 O75907 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
ALOX5 P09917 1/20 0.41
ALK Q9UM73 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL13985741 0.89 AURKA (0.43) AURKATBK1ALKMEN1KMT2A
SCHEMBL211958 0.89 AURKA (0.52) AURKATBK1ALK
SCHEMBL4757746 0.88 TBK1 (0.51) AURKATBK1
SCHEMBL4789483 0.88 AURKA (0.55) AURKADGAT1
SCHEMBL13985706 0.88 AURKA (0.44) AURKATBK1ALK
SCHEMBL210953 0.87 AURKA (0.54) AURKATBK1
SCHEMBL13985472 0.87 AURKA (0.42) AURKATBK1
SCHEMBL13985729 0.86 TBK1 (0.44) AURKATBK1
SCHEMBL210870 0.85 AURKA (0.42) AURKASMN1; SMN2TBK1KMT2A
SCHEMBL4757466 0.85 AURKA (0.64) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed