SCHEMBL4783458

SCHEMBL4783458

C[C@H]1COCCN1c1cc(-n2c(C(F)F)nc3ccccc32)nc(N2CCNCC2)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.67
PIK3CD O00329 6/20 0.67
PIK3CA P42336 5/20 0.67
PIK3R1 P27986 4/20 0.67
PIK3CG P48736 4/20 0.67
PDCD1 Q15116 7/20 0.61
CD274 Q9NZQ7 7/20 0.61
PIK3C2B O00750 1/20 0.57
MTOR P42345 1/20 0.57
ATR Q13535 6/20 0.54
CHEK1 O14757 5/20 0.54
ATRIP Q8WXE1 5/20 0.54

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
SCHEMBL15805508 0.89 PIK3CB (0.75) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL29434924 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4588794 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4730034 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL29434920 0.86 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029392 0.85 PDCD1 (0.64) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
Hydrochloric Acid SCHEMBL28720152 0.85 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL4585104 0.84 PDCD1 (0.62) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124235 0.84 PDCD1 (0.64) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10124206 0.84 PDCD1 (0.64) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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-2008032060-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERAZINYLPYRIMIDINE DERIVATIVES AS P13K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed