SCHEMBL4469166

SCHEMBL4469166

O=C(NCC(=O)N1CCN(c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)CC1)[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.41
PIK3CB P42338 10/20 0.41
PIK3CD O00329 9/20 0.41
PIK3CG P48736 7/20 0.41
ADAM17 P78536 2/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.36
TERT O14746 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
PDGFRB P09619 2/20 0.34
FLT3 P36888 2/20 0.34
IKBKB O14920 1/20 0.34
JAK2 O60674 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL4574510 0.90 PIK3CB (0.44) PIK3CAPIK3CBPIK3CDPIK3CGADAM17
SCHEMBL4730678 0.90 PIK3CB (0.44) PIK3CAPIK3CBPIK3CDPIK3CGADAM17
SCHEMBL4572916 0.90 PIK3CB (0.44) PIK3CAPIK3CBPIK3CDPIK3CGADAM17
SCHEMBL3987968 0.80 JAK2 (0.51) PIK3CAPIK3CBPIK3CDPIK3CGPDGFRB
SCHEMBL4523399 0.79 PIK3CB (0.67) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4607302 0.79 PIK3CB (0.66) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4728682 0.78 TERT (0.43) PIK3CAPIK3CBPIK3CDPIK3CGTERT
SCHEMBL4564983 0.78 PIK3CD (0.40) PIK3CAPIK3CBPIK3CDPIK3CGLMNA
SCHEMBL4564984 0.76 AKT1 (0.36) PIK3CAPIK3CBPIK3CDPIK3CGLMNA
SCHEMBL4570039 0.75 AKT1 (0.37) PIK3CAPIK3CBPIK3CDPIK3CGLMNA

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