SCHEMBL4555688

SCHEMBL4555688

Clc1nc(N2CCOCC2)c2sc(CC3CCCCN3C3CCNCC3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.41
PIK3R1 P27986 9/20 0.41
MTOR P42345 4/20 0.39
PIK3CD O00329 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL5251923 1.00 PIK3CA (0.41) PIK3CAPIK3R1MTORPIK3CDSMN1; SMN2
SCHEMBL2464837 0.80 PIK3CD (0.60) PIK3CAPIK3CDPIK3CG
SCHEMBL5307301 0.79 PIK3CA (0.65) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL4555746 0.75 PIK3CA (0.42) PIK3CAPIK3R1MTORPIK3CDSMN1; SMN2
SCHEMBL189736 0.75 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CG
Hydrochloric Acid SCHEMBL30151144 0.74 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CG
Hydrochloric Acid SCHEMBL1182606 0.74 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL190175 0.74 PIK3CA (0.39) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL3622005 0.74 PIK3CA (0.56) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1089140 0.73 PIK3CA (0.42) PIK3CAPIK3R1MTORPIK3CDPIK3CG

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-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed