SCHEMBL12464157

SCHEMBL12464157

Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
MTOR P42345 6/20 0.70
PIK3CG P48736 8/20 0.69
PIK3CB P42338 5/20 0.69
PIK3C2B O00750 1/20 0.69
CCNE2 O96020 1/20 0.69
PRKACA P17612 1/20 0.69
PRKACG P22612 1/20 0.69
PRKACB P22694 1/20 0.69
CCNE1 P24864 1/20 0.69
CDK2 P24941 1/20 0.69
KDR P35968 1/20 0.69
PIK3CD O00329 7/20 0.64

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
SCHEMBL28799921 0.87 PIK3CA (0.77) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1301231 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL960919 0.84 PIK3CA (0.87) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL964649 0.83 PIK3CA (0.86) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL958760 0.82 PIK3CA (0.86) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL960078 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL29439930 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL258501 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL29395747 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL959755 0.81 PIK3CA (0.81) PIK3CAMTORPIK3CGPIK3CBPIK3C2B

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-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed