SCHEMBL8091026

SCHEMBL8091026

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4cncc(F)c4)CC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.36
KIF11 P52732 2/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
CTPS1 P17812 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PIK3CD O00329 3/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 1/20 0.32
CSF1R P07333 1/20 0.32
ABL1 P00519 2/20 0.32
MEN1 O00255 1/20 0.31
IKBKB O14920 1/20 0.31
JAK2 O60674 1/20 0.31
EIF2AK2 P19525 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8097966 0.91 KIF11 (0.37) NAMPTKIF11ALDH1A1IDO1TDO2
SCHEMBL8094619 0.90 PIP4K2A (0.40) NAMPTCYP2C9CTPS1PIK3CDPIK3CA
SCHEMBL8083200 0.89 ALDH1A1 (0.43) NAMPTKIF11ALDH1A1IDO1TDO2
SCHEMBL8090868 0.85 MTOR (0.38) NAMPTKIF11ALDH1A1PIK3CDPIK3CA
SCHEMBL8084982 0.85 KIF11 (0.38) NAMPTKIF11ALDH1A1IDO1TDO2
SCHEMBL8091293 0.84 MAPT (0.42) NAMPTKIF11ALDH1A1PIK3CAMTOR
SCHEMBL8082685 0.82 IDO1 (0.40) ALDH1A1IDO1TDO2PIK3CAMTOR
SCHEMBL8104712 0.82 IDO1 (0.40) NAMPTKIF11ALDH1A1IDO1TDO2
SCHEMBL8090834 0.82 KIF11 (0.35) KIF11ALDH1A1IDO1TDO2PIK3CD
SCHEMBL8083416 0.81 PIK3R1 (0.39) NAMPTKIF11ALDH1A1IDO1TDO2

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