SCHEMBL470340

SCHEMBL470340

C=C(C)O/C(C)=C(\N)C(=O)Nc1cc(-c2cnc3[nH]ncc3c2)cc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.41
PIK3CA P42336 9/20 0.40
PIK3CG P48736 9/20 0.40
PIM1 P11309 7/20 0.40
GSK3B P49841 7/20 0.40
PIK3C3 Q8NEB9 3/20 0.40
PIK3CB P42338 9/20 0.40
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
ABL1 P00519 1/20 0.34
POLQ O75417 1/20 0.33

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
SCHEMBL12577375 0.85 PIK3C3 (0.37) PIK3CDPIK3CAPIK3CGPIK3C3PIK3CB
SCHEMBL12577081 0.76 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL457168 0.70 PIK3CD (0.45) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL459341 0.70 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL457146 0.67 PIK3CD (0.50) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL1782640 0.64 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL1781030 0.63 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL1781032 0.63 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL12574857 0.62 PIK3CD (0.37) PIK3CDPIK3CAPIK3CGPIM1GSK3B
SCHEMBL1780999 0.62 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIM1GSK3B

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
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed