SCHEMBL7898323

SCHEMBL7898323

CC(C)n1c(OC2CCCC2)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.68
PIK3R1 P27986 17/20 0.68
MTOR P42345 4/20 0.68
PIK3CD O00329 2/20 0.68
JAK2 O60674 1/20 0.68
JAK1 P23458 1/20 0.68
PIK3CB P42338 1/20 0.68
PIK3CG P48736 1/20 0.68
JAK3 P52333 1/20 0.68

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
SCHEMBL3791135 0.81 PIK3CA (0.77) PIK3CAPIK3R1MTORPIK3CDJAK2
Vs-5584 SCHEMBL539098 0.81 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDJAK2
Vs-5584 SCHEMBL29376859 0.81 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL539256 0.80 PIK3CA (0.78) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7895963 0.79 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7908617 0.79 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7901340 0.77 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7902204 0.77 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7894804 0.77 PIK3CA (0.61) PIK3CAPIK3R1MTORPIK3CDJAK2
SCHEMBL7900637 0.76 PIK3CA (0.71) PIK3CAPIK3R1MTORPIK3CDJAK2

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-2010114494-A1 8-SUBSTITUTED-2-MORPHOLINO PURINES FOR USE AS PI3K AND/OR MTOR INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISORDERS S*BIO PTE LTD (SG) 2010-10-07 WO disclosed