SCHEMBL8091998

SCHEMBL8091998

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.40
PIK3CD O00329 9/20 0.37
PIK3CA P42336 4/20 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 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK8 P45983 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL8083616 0.88 ATR (0.42) KIF11PIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8104038 0.87 CA12 (0.41) PIK3CDPIK3CAMEN1ALDH1A1MAPT
SCHEMBL8096016 0.85 PIK3CD (0.43) PIK3CDPIK3CAMEN1KMT2AMTOR
SCHEMBL8096026 0.85 POLB (0.40) PIK3CDPIK3CAMEN1ALDH1A1MAPT
SCHEMBL8089537 0.85 KIF11 (0.40) KIF11PIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8097694 0.85 CYP3A4 (0.42) PIK3CDPIK3CAMEN1ALDH1A1MAPT
SCHEMBL8090572 0.85 PIK3CD (0.41) PIK3CDPIK3CA
SCHEMBL8103635 0.84 ATR (0.39) KIF11PIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8083011 0.84 ATR (0.39) KIF11PIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8091995 0.84 PIK3CD (0.41) PIK3CDPIK3CAMEN1ALDH1A1MAPT

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