SCHEMBL459116

SCHEMBL459116

NC(=O)c1ncccc1-c1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.59
PIK3CB P42338 6/20 0.59
PIK3CG P48736 4/20 0.59
PIK3CA P42336 3/20 0.59
PIM1 P11309 2/20 0.59
GSK3B P49841 2/20 0.59
ASH1L Q9NR48 1/20 0.41
METAP2 P50579 2/20 0.41
LCK P06239 2/20 0.40
BTK Q06187 2/20 0.40
ERBB2 P04626 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
ITK Q08881 1/20 0.40
ERBB4 Q15303 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL1119167 0.84 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL462946 0.81 METAP2 (0.48) PIK3CDPIK3CBPIK3CGPIK3CAGSK3B
SCHEMBL1118909 0.81 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1431437 0.81 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1430757 0.80 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL457583 0.79 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL461789 0.78 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1431305 0.78 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1778790 0.77 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1250243 0.77 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIK3CAPIM1

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
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed