SCHEMBL16612929

SCHEMBL16612929

CCOC(=O)N1CCc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn3c2C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3R1 P27986 19/20 0.66
PIK3CD O00329 6/20 0.55
KCNH2 Q12809 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL10202169 0.82 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL1445147 0.80 PIK3R1 (0.73) PIK3CAPIK3R1
SCHEMBL1445083 0.80 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CD
SCHEMBL632385 0.79 PIK3CA (0.77) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL12819811 0.79 PIK3R1 (0.70) PIK3CAPIK3R1PIK3CD
SCHEMBL5555180 0.77 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL5555182 0.77 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL20458892 0.77 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL15603105 0.76 PIK3CA (0.72) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL14725951 0.76 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDKCNH2HDAC6

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
EP-2480549-B1 Fused imidazo[3,2-d]pyrazines as PI3 kinase inhibitors FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-04-08 EP disclosed