SCHEMBL4756080

SCHEMBL4756080

Cc1cc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(CN6CCN(C(=O)O)CC6)cc5)nc34)CC2)no1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.61
KCNH2 Q12809 3/20 0.54
FLT3 P36888 1/20 0.54
AURKB Q96GD4 1/20 0.47
AURKC Q9UQB9 1/20 0.47

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
SCHEMBL208679 0.89 AURKA (0.77) AURKAKCNH2FLT3
SCHEMBL13985590 0.87 AURKA (0.76) AURKAKCNH2FLT3AURKBAURKC
SCHEMBL4754664 0.86 AURKA (0.56) AURKAAURKB
SCHEMBL209623 0.86 AURKA (0.45) AURKA
SCHEMBL13985734 0.86 AURKA (0.77) AURKAKCNH2FLT3AURKBAURKC
SCHEMBL208400 0.84 AURKA (0.60) AURKA
SCHEMBL209196 0.84 AURKA (0.78) AURKAKCNH2FLT3AURKBAURKC
SCHEMBL209542 0.84 AURKA (0.76) AURKAKCNH2FLT3
SCHEMBL13985737 0.84 AURKA (0.55) AURKAKCNH2FLT3AURKBAURKC
SCHEMBL4757466 0.84 AURKA (0.64) AURKAKCNH2FLT3AURKBAURKC

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