SCHEMBL4727993

SCHEMBL4727993

NCCNC(=O)c1ccc(-c2cc(C3(C(F)F)Nc4ccccc4N3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.42
PIK3CG P48736 4/20 0.42
MTOR P42345 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
HDAC3 O15379 6/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 4/20 0.42
HPGDS O60760 2/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT3 P36888 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL4727055 0.86 PIK3CA (0.41) PIK3CAPIK3CGMTORHTTHSD17B10
SCHEMBL4728451 0.86 LMNA (0.48) PIK3CAPIK3CGMTORLMNAPOLB
SCHEMBL4794320 0.82 PIK3CA (0.48) PIK3CAPIK3CGMTORLMNAPOLB
SCHEMBL4795569 0.82 PIK3CA (0.45) PIK3CAPIK3CGMTORLMNAPOLB
SCHEMBL4729174 0.79 KDM4E (0.41) PIK3CAMTORLMNAPOLBHTT
SCHEMBL3985383 0.77 HPGDS (0.52) HPGDSHPGDCD274
SCHEMBL4838764 0.76 PIK3CB (0.58) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL4729907 0.76 JAK2 (0.51) PIK3CAPIK3CGMTORLMNAPOLB
SCHEMBL4728335 0.75 JAK2 (0.48) PIK3CAPIK3CGMTORLMNAPOLB
SCHEMBL4730280 0.75 JAK2 (0.43) PIK3CAPIK3CGMTORHDAC3HDAC1

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
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed