SCHEMBL4729174

SCHEMBL4729174

Nc1ccc(-c2cc(C3(C(F)F)Nc4ccccc4N3)nc(N3CCOCC3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CA P42336 11/20 0.39
PIK3R1 P27986 5/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MTOR P42345 2/20 0.38
PARP1 P09874 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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 0.89 PIK3CA (0.48) KDM4EL3MBTL1TDP1LMNAATM
SCHEMBL4795569 0.83 PIK3CA (0.45) LMNAPIK3CAPIK3R1HSD17B10POLB
SCHEMBL4730536 0.83 ATR (0.43) KDM4ELMNANPSR1PIK3CAHSD17B10
SCHEMBL4728451 0.81 LMNA (0.48) KDM4EL3MBTL1TDP1LMNAATM
SCHEMBL4727993 0.79 PIK3CA (0.42) KDM4EL3MBTL1TDP1LMNAPIK3CA
SCHEMBL4726457 0.74 PIK3CB (0.48) KDM4ELMNANPSR1PIK3CAHSD17B10
SCHEMBL4727870 0.74 PIK3CB (0.48) KDM4ELMNANPSR1PIK3CAHSD17B10
SCHEMBL4729907 0.74 JAK2 (0.51) LMNAPIK3CAHSD17B10POLBHTT
SCHEMBL4728335 0.73 JAK2 (0.48) LMNAPIK3CAHSD17B10POLBHTT
SCHEMBL4731075 0.73 HTT (0.49) KDM4ELMNANPSR1PIK3CAPIK3R1

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