SCHEMBL4966471

SCHEMBL4966471

Cc1ccc(NN(C=O)c2cccc3c(C)c(CN4CCN(S(C)(=O)=O)CC4)[nH]c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.38
PIK3R1 P27986 6/20 0.38
PIK3CD O00329 6/20 0.38
PIK3CB P42338 6/20 0.38
PIK3CG P48736 6/20 0.38
MTOR P42345 2/20 0.32
PIK3C2B O00750 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
KDR P35968 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
IDE P14735 1/20 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
SCHEMBL4966895 0.84 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL5143901 0.77 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL3043425 0.77 PIK3CA (0.40) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL402842 0.72 PIK3CA (0.40) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL4966033 0.69 LMNA (0.33) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL5070139 0.68 ALDH1A1 (0.35) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL400515 0.67 NPSR1 (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL3736977 0.67 PIK3CA (0.46) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL15450881 0.64 PIK3R1 (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL5140882 0.63 ALDH1A1 (0.41) KDM4EALOX15HTTALDH1A1LMNA

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-1959962-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO claimed