SCHEMBL461727

SCHEMBL461727

CC(C)n1ccc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.68
PIK3CB P42338 8/20 0.68
PIK3CG P48736 8/20 0.68
PIK3CA P42336 7/20 0.68
PIM1 P11309 6/20 0.68
GSK3B P49841 6/20 0.68
HPGDS O60760 5/20 0.40
FTO Q9C0B1 1/20 0.37
DHPS P49366 1/20 0.37
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
ERBB2 P04626 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
RPS6KB1 P23443 1/20 0.36
TYK2 P29597 1/20 0.36
AKT1 P31749 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL2212954 0.89 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2216788 0.86 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2215452 0.86 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2216308 0.86 PIK3CD (0.62) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214448 0.84 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2213490 0.82 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214833 0.82 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214580 0.82 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1959727 0.82 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214551 0.81 PIK3CD (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed