SCHEMBL13985709

SCHEMBL13985709

Cc1nc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(N6CCC(O)CC6)cc5)nc34)CC2)cs1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.46
KCNH2 Q12809 2/20 0.46
FLT3 P36888 1/20 0.46
CHRM4 P08173 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL210154 0.90 AURKA (0.57) AURKAKCNH2FLT3
SCHEMBL211070 0.90 AURKA (0.56) AURKAKCNH2FLT3
SCHEMBL207811 0.88 AURKA (0.51) AURKAKCNH2FLT3KMT2A
SCHEMBL211315 0.85 AURKA (0.46) AURKAKCNH2FLT3
SCHEMBL209820 0.85 AURKA (0.58) AURKAKCNH2FLT3
SCHEMBL211868 0.85 AURKA (0.48) AURKAKCNH2FLT3CHRM4KMT2A
SCHEMBL13985587 0.84 AURKA (0.57) AURKAKCNH2FLT3
SCHEMBL209180 0.84 AURKA (0.58) AURKAKCNH2FLT3
SCHEMBL211835 0.83 AURKA (0.56) AURKA
SCHEMBL211867 0.83 AURKA (0.42) AURKAKCNH2FLT3CHRM4KMT2A

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