SCHEMBL12443886

SCHEMBL12443886

CC(=O)Nc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc([N+]34CCN(CC3)CC4)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 7/20 0.48
▸ MAP3K5 Q99683 1/20 0.48
▸ SCN9A Q15858 4/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ KIT P10721 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ PDGFRB P09619 1/20 0.42

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
SCHEMBL12443884 0.76 MAP3K5 (0.63) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL12515414 0.75 MAP3K5 (0.58) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL2219871 0.75 POLB (0.72) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL21925740 0.74 MAP3K5 (0.59) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL3246720 0.72 POLB (0.68) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL12443882 0.70 MAP3K5 (0.52) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL16928500 0.69 MAP3K5 (0.54) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL21635739 0.69 RHOA (0.66) CSNK2A1MAP3K5ABCG2ABCB1ABCC1
SCHEMBL13771495 0.69 ALDH1A1 (0.64) CSNK2A1MAP3K5NEK2KITFLT3
SCHEMBL1901172 0.69 ALDH1A1 (0.76) MEN1MAPTKMT2A

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
US-20110173763-A1 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2011-07-21 — — US disclosed
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