SCHEMBL13985667

SCHEMBL13985667

COc1ccc(-c2nc3c(N4CCN(Cc5cc(C)on5)CC4)c(Cl)cnc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.64
KCNH2 Q12809 2/20 0.59
FLT3 P36888 2/20 0.55

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
SCHEMBL209542 0.90 AURKA (0.76) AURKAKCNH2FLT3
SCHEMBL4756403 0.88 AURKA (0.76) AURKAKCNH2FLT3
SCHEMBL209260 0.87 AURKA (0.66) AURKAKCNH2FLT3
SCHEMBL4757123 0.85 AURKA (0.60) AURKAKCNH2FLT3
SCHEMBL210908 0.84 AURKA (0.64) AURKAFLT3
SCHEMBL209723 0.83 AURKA (0.63) AURKA
SCHEMBL209965 0.82 AURKA (0.62) AURKAFLT3
SCHEMBL13985594 0.82 AURKA (0.55) AURKAKCNH2FLT3
SCHEMBL13985719 0.82 AURKA (0.58) AURKAKCNH2FLT3
SCHEMBL209834 0.81 AURKA (0.47) 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