SCHEMBL4564983

SCHEMBL4564983

NC(=O)[C@H](N)CC(=O)N1CCN(c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.40
PIK3CB P42338 7/20 0.40
PIK3CA P42336 6/20 0.40
PIK3CG P48736 4/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
AKT1 P31749 3/20 0.37
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 2/20 0.35
GBA1 P04062 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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 0.82 AKT1 (0.37) PIK3CDPIK3CBPIK3CAPIK3CGKDM4E
SCHEMBL4564984 0.81 AKT1 (0.36) PIK3CDPIK3CBPIK3CAPIK3CGKDM4E
SCHEMBL4469166 0.78 PIK3CA (0.41) PIK3CDPIK3CBPIK3CAPIK3CGPOLB
SCHEMBL4564882 0.77 PIK3CB (0.39) PIK3CDPIK3CBPIK3CAPIK3CGAKT1
SCHEMBL4473047 0.76 PIK3CB (0.40) PIK3CDPIK3CBPIK3CAPIK3CGKDM4E
SCHEMBL3990070 0.76 JAK2 (0.41) PIK3CDPIK3CBPIK3CAPIK3CGAKT1
SCHEMBL4564097 0.76 HTT (0.40) PIK3CDPIK3CBPIK3CAKDM4EALDH1A1
SCHEMBL4522887 0.75 PIK3CB (0.68) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL4477321 0.75 PIK3CB (0.35) PIK3CDPIK3CBPIK3CAPIK3CGAKT1
SCHEMBL4478719 0.73 PIK3CB (0.36) PIK3CDPIK3CBPIK3CAPIK3CGKDM4E

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