SCHEMBL4730141

SCHEMBL4730141

NCCC1CCN(c2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.82
PIK3CD O00329 11/20 0.82
PIK3CA P42336 9/20 0.60
PIK3CG P48736 9/20 0.60
PIK3R1 P27986 2/20 0.60
PIK3C2B O00750 1/20 0.60
MTOR P42345 1/20 0.60

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
SCHEMBL4850621 1.00 PIK3CB (0.82) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3599666 0.95 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4726053 0.88 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4731805 0.88 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL13549432 0.84 PIK3CB (0.78) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3595177 0.84 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779851 0.83 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4780612 0.83 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3589578 0.82 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434920 0.82 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed