SCHEMBL5507128

SCHEMBL5507128

O=C(O)N1CCC(Oc2ccnc3ccc(I)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
IDO1 P14902 10/20 0.44
AR P10275 5/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP3A4 P08684 1/20 0.36
IKBKB O14920 1/20 0.36
RBP4 P02753 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
SCHEMBL17729172 0.86 IDO1 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL5499611 0.85 IDO1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360348 0.78 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360352 0.78 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360649 0.75 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23360651 0.75 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17729245 0.74 HRH1 (0.42)
SCHEMBL5506914 0.74 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL29862644 0.73 IDO1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360277 0.73 IDO1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGIDO1

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-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed