SCHEMBL3823747

SCHEMBL3823747

CNC(=O)c1nc(-c2cccc(NC(=O)CCc3ccccc3)c2)cnc1N

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.63
PIK3CA P42336 7/20 0.63
PIK3CG P48736 7/20 0.63
PIK3CB P42338 5/20 0.60
ATR Q13535 13/20 0.60
PRKDC P78527 6/20 0.57
ATM Q13315 2/20 0.56

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
SCHEMBL3462240 0.90 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460519 0.86 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460255 0.85 PIK3CD (0.63) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460561 0.85 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460329 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460514 0.84 ATR (0.77) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3459728 0.83 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461330 0.82 ATR (0.71) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461802 0.82 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460013 0.81 ATR (0.78) PIK3CDPIK3CAPIK3CGPIK3CBATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
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