SCHEMBL4472229

SCHEMBL4472229

O=CC(NCCF)N1CCN(c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.36
AKT1 P31749 9/20 0.35
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3R1 P27986 1/20 0.32

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
SCHEMBL4465034 0.85 PIK3CB (0.36) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4564882 0.79 PIK3CB (0.39) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4477321 0.76 PIK3CB (0.35) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4564097 0.75 HTT (0.40) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4478719 0.75 PIK3CB (0.36) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4466571 0.73 PIK3CB (0.36) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4570039 0.73 AKT1 (0.37) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4564983 0.72 PIK3CD (0.40) PIK3CBAKT1PIK3CDPIK3CA
SCHEMBL4564984 0.71 AKT1 (0.36) PIK3CBAKT1PIK3CDPIK3CAHTT
SCHEMBL4473047 0.71 PIK3CB (0.40) PIK3CBAKT1PIK3CDPIK3CAHTT

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
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP claimed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed