SCHEMBL3725448

SCHEMBL3725448

O=S(=O)=CN1CCN(Cc2cn3cc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 19/20 0.74
PIK3CA P42336 19/20 0.74
PIK3CD O00329 4/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL633416 0.89 PIK3CA (0.74) PIK3R1PIK3CAPIK3CDKCNH2
SCHEMBL15603073 0.86 PIK3R1 (0.77) PIK3R1PIK3CAPIK3CDKCNH2
SCHEMBL3725366 0.86 PIK3CA (0.55) PIK3R1PIK3CAPIK3CDKCNH2
SCHEMBL5562537 0.85 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDKCNH2
SCHEMBL632497 0.79 PIK3R1 (0.74) PIK3R1PIK3CAPIK3CD
SCHEMBL631666 0.79 PIK3R1 (0.62) PIK3R1PIK3CAPIK3CD
SCHEMBL632841 0.77 PIK3R1 (0.72) PIK3R1PIK3CAPIK3CD
SCHEMBL893447 0.76 PIK3CA (0.71) PIK3R1PIK3CAPIK3CD
SCHEMBL633055 0.76 PIK3R1 (0.53) PIK3R1PIK3CAPIK3CD
SCHEMBL2724529 0.76 PIK3R1 (0.54) PIK3R1PIK3CAPIK3CD

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