SCHEMBL3825317

SCHEMBL3825317

CNC(=O)c1nc(-c2cccc(C(=O)NCC3CCN(C(=O)OCC(C)C)C3)c2)cnc1N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.49
TYRO3 Q06418 2/20 0.45
PIK3CD O00329 3/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CG P48736 3/20 0.45
MAP4K4 O95819 1/20 0.45
PIK3CB P42338 2/20 0.44

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
SCHEMBL3460009 0.88 KDM4E (0.51) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3461745 0.83 KDM4E (0.58) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3460080 0.82 TYRO3 (0.60) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3462291 0.80 LDHA (0.58) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3460033 0.80 ATR (0.53) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3460077 0.80 TYRO3 (0.57) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3461524 0.78 PIK3CD (0.61) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460396 0.78 HDAC3 (0.58) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3461225 0.78 TYRO3 (0.70) ATRTYRO3PIK3CDPIK3CAPIK3CG
SCHEMBL3462690 0.77 TYRO3 (0.71) ATRTYRO3PIK3CDPIK3CAPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed