SCHEMBL4728451

SCHEMBL4728451

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PIK3CA P42336 10/20 0.46
MTOR P42345 5/20 0.46
PIK3CG P48736 4/20 0.46
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.44
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4794320 0.87 PIK3CA (0.48) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4727993 0.86 PIK3CA (0.42) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4727905 0.84 ATR (0.49) LMNAHSD17B10HTTPIK3CAMTOR
SCHEMBL4729174 0.81 KDM4E (0.41) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4729907 0.80 JAK2 (0.51) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4795569 0.80 PIK3CA (0.45) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4728335 0.80 JAK2 (0.48) LMNAHSD17B10POLBHTTGPR55
SCHEMBL4730280 0.77 JAK2 (0.43) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL4730204 0.74 MOK (0.41) HSD17B10PIK3CAMTORPIK3CGKDM4E
SCHEMBL4727870 0.72 PIK3CB (0.48) LMNAHSD17B10PIK3CAMTORNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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