SCHEMBL12443882

SCHEMBL12443882

CC(=O)Nc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc(-[n+]3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.52
▸ CSNK2A1 P68400 4/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NEK2 P51955 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ RHOA P61586 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ SYK P43405 1/20 0.45

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 0.80 MAP3K5 (0.63) MAP3K5CSNK2A1ABCG2ABCB1ABCC1
SCHEMBL12515414 0.79 MAP3K5 (0.58) MAP3K5CSNK2A1ABCG2ABCB1ABCC1
SCHEMBL2219871 0.79 POLB (0.72) MAP3K5CSNK2A1POLBMAPTNEK2
SCHEMBL21925740 0.77 MAP3K5 (0.59) MAP3K5CSNK2A1ABCG2ABCB1ABCC1
SCHEMBL3246720 0.76 POLB (0.68) MAP3K5CSNK2A1POLBNEK2JAK2
SCHEMBL21635739 0.75 RHOA (0.66) MAP3K5CSNK2A1ABCG2ABCB1ABCC1
SCHEMBL4683156 0.73 NPC1 (0.54) MAPTMEN1KMT2ARHOAAURKA
SCHEMBL1934668 0.73 MAPT (0.75) MAP3K5ABCG2ABCB1ABCC1POLB
SCHEMBL31436022 0.73 MAPT (0.75) MAP3K5ABCG2ABCB1ABCC1POLB
SCHEMBL16928500 0.73 MAP3K5 (0.54) MAP3K5CSNK2A1ABCG2ABCB1ABCC1

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