SCHEMBL5506914

SCHEMBL5506914

NC1=NC(=O)C/S1=C/c1ccc2nccc(OC3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
IDO1 P14902 7/20 0.35
PDPK1 O15530 3/20 0.33
AR P10275 4/20 0.32
MET P08581 1/20 0.31
MST1R Q04912 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL5504950 0.89 IDO1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL3945087 0.82 CHRM4 (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5507128 0.74 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL17729172 0.74 IDO1 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL5503407 0.70 KMT2A (0.44) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3950194 0.70 ERBB2 (0.35) IRAK4
SCHEMBL5507155 0.68 IDO1 (0.54) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL14437316 0.67 GPR119 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360352 0.67 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGIDO1
SCHEMBL23360348 0.67 PIK3CD (0.58) 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