SCHEMBL4465034

SCHEMBL4465034

O=CC(NC1CC1)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
PIK3CA P42336 9/20 0.35
HTT P42858 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3R1 P27986 1/20 0.33
AKT1 P31749 2/20 0.32
GBA1 P04062 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
SCHEMBL4472229 0.85 PIK3CB (0.36) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4564882 0.78 PIK3CB (0.39) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4466571 0.76 PIK3CB (0.36) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4564097 0.76 HTT (0.40) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4478719 0.75 PIK3CB (0.36) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4570039 0.75 AKT1 (0.37) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4473047 0.75 PIK3CB (0.40) PIK3CBPIK3CAHTTPIK3CDAKT1
SCHEMBL4477321 0.75 PIK3CB (0.35) PIK3CBPIK3CAHTTPIK3CDPIK3R1
SCHEMBL4564984 0.74 AKT1 (0.36) PIK3CBPIK3CAHTTPIK3CDAKT1
SCHEMBL4469166 0.73 PIK3CA (0.41) PIK3CBPIK3CAPIK3CD

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