SCHEMBL13985671

SCHEMBL13985671

FC(F)(F)c1ccc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(N6CCNCC6)cc5)nc34)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.48
FLT3 P36888 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL208764 0.92 AURKA (0.51) AURKAFLT3KCNH2
SCHEMBL4756518 0.90 AURKA (0.40) AURKAKCNH2
SCHEMBL209563 0.89 AURKA (0.57) AURKA
SCHEMBL13985714 0.86 AURKA (0.51) AURKAKCNH2
SCHEMBL212761 0.86 AURKA (0.57) AURKA
SCHEMBL13985741 0.85 AURKA (0.43) AURKA
SCHEMBL4756460 0.85 AURKA (0.43) AURKA
SCHEMBL4757722 0.85 AURKA (0.49) AURKA
SCHEMBL211237 0.84 AURKA (0.58) AURKAFLT3KCNH2
SCHEMBL13985465 0.83 AURKA (0.51) AURKAFLT3KCNH2

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