SCHEMBL2219871

SCHEMBL2219871

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.72
▸ MAP3K5 Q99683 1/20 0.58
▸ NFKB1 P19838 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ KIT P10721 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL3246720 0.97 POLB (0.68) POLBMAP3K5NFKB1AURKAAURKB
SCHEMBL13771495 0.92 ALDH1A1 (0.64) POLBMAP3K5NFKB1AURKAAURKB
SCHEMBL12443884 0.86 MAP3K5 (0.63) POLBMAP3K5AURKAAURKBALDH1A1
SCHEMBL3243500 0.86 MAP3K5 (0.60) POLBMAP3K5AURKAAURKBALDH1A1
SCHEMBL12515414 0.85 MAP3K5 (0.58) POLBMAP3K5AURKAAURKBMEN1
SCHEMBL21925740 0.83 MAP3K5 (0.59) POLBMAP3K5AURKAAURKBMEN1
SCHEMBL16928500 0.81 MAP3K5 (0.54) POLBMAP3K5AURKAAURKBALDH1A1
SCHEMBL14388020 0.81 POLB (0.93) POLBNFKB1AURKAMEN1MAPT
SCHEMBL13771598 0.80 POLB (0.48) POLBMAP3K5NFKB1AURKAAURKB
SCHEMBL20820089 0.80 NFKB1 (0.76) POLBNFKB1MEN1MAPTKMT2A

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 5 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
US-20110173763-A1 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2011-07-21 — — US disclosed
US-20110173763-A1 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2011-07-21 — — US disclosed
EP-2235252-A2 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2010-10-06 — — EP disclosed
WO-2009093041-A2 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE F0R DEFENCE (GB) 2009-07-30 — — WO disclosed
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