SCHEMBL4564097

SCHEMBL4564097

FC(F)C1(c2nc(N3CCOCC3)cc(N3CCN(N4CC[CH]CC4)CC3)n2)Nc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
PIK3CB P42338 5/20 0.40
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKDC P78527 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3R1 P27986 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4570039 0.79 AKT1 (0.37) HTTPIK3CBMAPTHSD17B10KDM4E
SCHEMBL4564984 0.77 AKT1 (0.36) HTTPIK3CBMAPTHSD17B10KDM4E
SCHEMBL4564882 0.77 PIK3CB (0.39) HTTPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL4465034 0.76 PIK3CB (0.36) HTTPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL4564983 0.76 PIK3CD (0.40) PIK3CBMAPTHSD17B10KDM4EALDH1A1
SCHEMBL4472229 0.75 PIK3CB (0.36) HTTPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL4478719 0.75 PIK3CB (0.36) HTTPIK3CBNPSR1KDM4EALDH1A1
SCHEMBL4477321 0.74 PIK3CB (0.35) HTTPIK3CBNPSR1MAPTTSHR
SCHEMBL4473047 0.74 PIK3CB (0.40) HTTPIK3CBMAPTHSD17B10KDM4E
SCHEMBL4466571 0.74 PIK3CB (0.36) HTTPIK3CBKDM4EALDH1A1GAA

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