SCHEMBL12515414

SCHEMBL12515414

CC(=O)Nc1cccc(Nc2nc(I)nc(Nc3cccc(NC(C)=O)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.58
▸ NEK2 P51955 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ CSNK2A1 P68400 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KIT P10721 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ SYK P43405 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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 0.86 MAP3K5 (0.63) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL2219871 0.85 POLB (0.72) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL21925740 0.83 MAP3K5 (0.59) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL3246720 0.82 POLB (0.68) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL12443882 0.79 MAP3K5 (0.52) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL16928500 0.78 MAP3K5 (0.54) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL13771495 0.78 ALDH1A1 (0.64) MAP3K5NEK2POLBCSNK2A1ALDH1A1
SCHEMBL21635739 0.78 RHOA (0.66) MAP3K5CSNK2A1ALDH1A1RAB9ACYP1A2
SCHEMBL1901172 0.78 ALDH1A1 (0.76) POLBALDH1A1NR4A1RAB9ACYP1A2
SCHEMBL12443886 0.75 CSNK2A1 (0.48) MAP3K5NEK2CSNK2A1KITFLT3

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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