SCHEMBL4789145

SCHEMBL4789145

NCc1ccc(-c2nc3c(N4CCC(Oc5cccnc5)CC4)c(Br)ncc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
AURKA O14965 3/20 0.38
AOC3 Q16853 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LCK P06239 1/20 0.36
ROCK1 Q13464 1/20 0.36
LTA4H P09960 1/20 0.36
PRMT5 O14744 3/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GBA1 P04062 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL4789897 0.86 AURKA (0.42) CHRM4AURKAAOC3IKBKBCHUK
SCHEMBL209520 0.77 AURKA (0.40) CHRM4AURKAPRMT5CHEK2
SCHEMBL16152489 0.74 AURKA (0.38) AURKAPRMT5GBA1CHEK2
SCHEMBL210273 0.66 AURKA (0.61) AURKA
SCHEMBL208759 0.66 CHEK2 (0.40) AURKAPRMT5CHEK2
SCHEMBL210407 0.65 AURKA (0.58) AURKAPRMT5
SCHEMBL29947171 0.64 CHRM4 (0.46) CHRM4AOC3LTA4HCHRNB2CHRNA4
SCHEMBL4756397 0.63 DGAT1 (0.43) AURKA
SCHEMBL13985474 0.63 AURKA (0.52) AURKA
SCHEMBL4757120 0.62 CHRM4 (0.42) CHRM4AOC3CHRNB2CHRNA4PDE3B

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 claimed