SCHEMBL13771495

SCHEMBL13771495

CC(=O)Nc1cccc(Nc2nc(Cl)nc(Nc3cccc(N)c3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ POLB P06746 2/20 0.62
▸ MAP3K5 Q99683 1/20 0.51
▸ KIT P10721 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ NFKB1 P19838 1/20 0.49
▸ DDX3X O00571 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CSNK2A1 P68400 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL2219871 0.92 POLB (0.72) ALDH1A1POLBMAP3K5KITFLT3
SCHEMBL3246720 0.89 POLB (0.68) ALDH1A1POLBMAP3K5KITFLT3
SCHEMBL14231402 0.85 MEN1 (0.61) POLBNFKB1CA12CA1CA2
SCHEMBL29557251 0.80 ALDH1A1 (1.00) ALDH1A1POLBDDX3XSMN1; SMN2MAPT
SCHEMBL374432 0.80 ALDH1A1 (1.00) ALDH1A1POLBDDX3XSMN1; SMN2MAPT
SCHEMBL12443884 0.79 MAP3K5 (0.63) ALDH1A1POLBMAP3K5KITFLT3
SCHEMBL3243500 0.79 MAP3K5 (0.60) ALDH1A1POLBMAP3K5KITFLT3
Hydrochloric Acid SCHEMBL2481626 0.79 ALDH1A1 (0.96) ALDH1A1POLBDDX3XSMN1; SMN2MAPT
SCHEMBL12515414 0.78 MAP3K5 (0.58) ALDH1A1POLBMAP3K5KITFLT3
SCHEMBL31302305 0.77 MEN1 (0.63) POLBDDX3XMEN1MAPTKMT2A

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-2009093041-A2 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE F0R DEFENCE (GB) 2009-07-30 — — WO disclosed
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