SCHEMBL3725366

SCHEMBL3725366

O=S(=O)=CN1CCN(Cc2cn3cc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.55
PIK3R1 P27986 16/20 0.55
PIK3CD O00329 7/20 0.49
KCNH2 Q12809 1/20 0.45
PIK3CB P42338 3/20 0.43
PIK3CG P48736 2/20 0.43
CYP3A4 P08684 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL15603144 0.87 PIK3CA (0.57) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL3725448 0.86 PIK3R1 (0.74) PIK3CAPIK3R1PIK3CDKCNH2
SCHEMBL5558592 0.85 PIK3R1 (0.75) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL20458875 0.85 PIK3CA (0.57) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL632497 0.78 PIK3R1 (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL633416 0.77 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDKCNH2
SCHEMBL15603045 0.76 PIK3CA (0.57) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL632841 0.75 PIK3R1 (0.72) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL893447 0.75 PIK3CA (0.71) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL633055 0.75 PIK3R1 (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed