SCHEMBL4154153

SCHEMBL4154153

NC(=O)c1[c]ccc2nc(-c3c(Cl)cccc3Cl)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
DGAT1 O75907 5/20 0.38
JAK2 O60674 4/20 0.38
TYK2 P29597 2/20 0.38
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.36
MAP2 P11137 1/20 0.35
CHEK2 O96017 3/20 0.35
PTGES O14684 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CLK1 P49759 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL4367562 0.72 METAP1 (0.45) TSHRPARP1CHEK2
SCHEMBL4367704 0.72 METAP1 (0.39) CHEK2
SCHEMBL2364957 0.72 PTGES (0.46) JAK2PARP1PTGES
SCHEMBL14629871 0.68 PTGES (0.47) JAK2TYK2PTGES
SCHEMBL14629901 0.68 PARP1 (0.41) GUSBJAK2TYK2PARP1MAP2
SCHEMBL13405987 0.67 GUSB (0.53) GUSBDGAT1JAK2TYK2PARP1
SCHEMBL14629888 0.65 PTGES (0.41) GUSBJAK2TYK2PARP1PTGES
SCHEMBL14629892 0.65 PTGES (0.41) GUSBDGAT1JAK2TYK2TSHR
SCHEMBL2372213 0.65 TYK2 (0.49) GUSBDGAT1JAK2TYK2PTGES
SCHEMBL29062716 0.64 DYRK1A (0.47) GUSBPARP1MAP2CHEK2CLK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed