SCHEMBL8097966

SCHEMBL8097966

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4cc(F)cc(F)c4)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
ALDH1A1 P00352 3/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NAMPT P43490 1/20 0.33
IKBKB O14920 1/20 0.33
JAK2 O60674 1/20 0.33
EIF2AK2 P19525 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIK3CD O00329 5/20 0.32

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
SCHEMBL8083200 0.92 ALDH1A1 (0.43) KIF11ALDH1A1IDO1TDO2PIK3CA
SCHEMBL8091026 0.91 NAMPT (0.36) KIF11ALDH1A1IDO1TDO2PIK3CA
SCHEMBL8089917 0.89 PIK3CA (0.39) ALDH1A1PIK3CAMTORKMT2ANAMPT
SCHEMBL8084982 0.88 KIF11 (0.38) KIF11ALDH1A1IDO1TDO2MEN1
SCHEMBL8091293 0.88 MAPT (0.42) KIF11ALDH1A1PIK3CAMTORMEN1
SCHEMBL8104053 0.87 CA2 (0.41) ALDH1A1PIK3CAMTORNAMPTPIK3CD
SCHEMBL8090868 0.87 MTOR (0.38) KIF11ALDH1A1PIK3CAMTORMEN1
SCHEMBL8082005 0.86 PIK3CA (0.41) PIK3CAMTORNAMPTPIK3CDPIK3CG
SCHEMBL8104712 0.85 IDO1 (0.40) KIF11ALDH1A1IDO1TDO2PIK3CA
SCHEMBL8082685 0.85 IDO1 (0.40) ALDH1A1IDO1TDO2PIK3CAMTOR

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed