SCHEMBL3700323

SCHEMBL3700323

O=C(c1ccco1)C1CNCCN1c1nc(N2CCOCC2)nc(-n2c(CO)nc3ccccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.48
PIK3CD O00329 14/20 0.45
PIK3CA P42336 12/20 0.45
PIK3CG P48736 11/20 0.45
PIK3R1 P27986 2/20 0.45
PIK3C2B O00750 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL5148290 0.92 PDCD1 (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956597 0.81 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2948873 0.78 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2954006 0.73 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL2954711 0.73 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2948088 0.71 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2947737 0.71 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956420 0.71 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2950993 0.71 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2955446 0.70 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP claimed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP disclosed