SCHEMBL3907499

SCHEMBL3907499

CNC(=O)c1nc(-c2cccc(C(=O)N(c3ccccc3)[C@]3(Cc4ccc(Cl)cc4Cl)CCNC3)c2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.43
PIK3CA P42336 13/20 0.43
PIK3CG P48736 13/20 0.43
PIK3CB P42338 11/20 0.43
ATR Q13535 6/20 0.43
TYRO3 Q06418 1/20 0.40

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
SCHEMBL3461741 0.74 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3907494 0.74 ATR (0.47) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3907501 0.74 ATR (0.47) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL4251691 0.73 PIK3CD (0.50) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461543 0.70 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3459905 0.70 ATR (0.74) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461458 0.70 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462514 0.69 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462245 0.69 ATR (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460861 0.69 PIK3CD (0.54) 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 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