SCHEMBL8089537

SCHEMBL8089537

CC(C)S(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(N)=O)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.40
GLA P06280 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MTOR P42345 3/20 0.35
ATR Q13535 1/20 0.35
PIK3CD O00329 7/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL8089531 0.89 CA12 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8083616 0.88 ATR (0.42) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8099845 0.86 KDR (0.41) PIK3CDPIK3CA
SCHEMBL8091998 0.85 KIF11 (0.40) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8083011 0.84 ATR (0.39) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8103635 0.84 ATR (0.39) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8090994 0.84 POLB (0.39) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8091293 0.82 MAPT (0.42) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8090868 0.81 MTOR (0.38) KIF11MEN1ALDH1A1MAPTHPGD
SCHEMBL8099604 0.81 PIK3CD (0.36) KIF11MEN1ALDH1A1MAPTHPGD

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