Sugi Predict

Sugi Predict / Compounds / SCHEMBL2816532

SCHEMBL2816532

SCHEMBL2816532

FC(F)c1nc2c(OCCN3CCOCC3)cccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 20/20 1.00
▸ PIK3CA P42336 15/20 1.00
▸ PIK3CD O00329 14/20 1.00
▸ PIK3R1 P27986 13/20 1.00
▸ PIK3CG P48736 1/20 0.71

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
SCHEMBL2819585 0.95 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2816007 0.89 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2814733 0.89 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2818070 0.88 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2812275 0.88 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2882248 0.88 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3566232 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2816961 0.86 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2880716 0.86 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2817113 0.85 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 — — WO disclosed