SCHEMBL13985663

SCHEMBL13985663

Cc1nc(CN2CCN(c3c(Cl)cnc4[nH]c(-c5ccc(N6CCNCC6)cc5)nc34)CC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.48
KCNH2 Q12809 3/20 0.48
NMT1 P30419 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
FLT3 P36888 3/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL211684 0.93 AURKA (0.48) AURKAKCNH2NMT1FLT3
SCHEMBL211070 0.90 AURKA (0.56) AURKAKCNH2FLT3
SCHEMBL208033 0.87 AURKA (0.49) AURKAKCNH2
SCHEMBL4754651 0.86 AURKA (0.48) AURKAKCNH2NMT1FLT3DRD2
SCHEMBL13985589 0.85 AURKA (0.42) AURKAKCNH2FGFR1FGFR2FGFR4
SCHEMBL14495704 0.84 AURKA (0.43) AURKAKCNH2FLT3
SCHEMBL211835 0.84 AURKA (0.56) AURKA
SCHEMBL207979 0.83 AURKA (0.43) AURKAKCNH2FGFR1FGFR2FGFR4
SCHEMBL209500 0.83 AURKA (0.58) AURKAKCNH2FLT3
SCHEMBL210154 0.82 AURKA (0.57) AURKAKCNH2FLT3

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