SCHEMBL8093619

SCHEMBL8093619

CCS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NC(C)(C)CO)cc3)n2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.41
PIK3CA P42336 10/20 0.41
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MTOR P42345 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL8089738 0.92 PIK3CD (0.41) PIK3CDPIK3CAPOLBJAK2KDM4E
SCHEMBL8090420 0.90 PIK3CD (0.41) PIK3CDPIK3CAPOLBJAK2KDM4E
SCHEMBL8081910 0.89 PIK3CD (0.43) PIK3CDPIK3CAPOLBJAK2KDM4E
SCHEMBL8090187 0.88 PIK3CD (0.42) PIK3CDPIK3CAPOLBJAK2MTOR
SCHEMBL8082658 0.88 PIK3CD (0.39) PIK3CDPIK3CAPOLBKDM4EMEN1
SCHEMBL8096026 0.87 POLB (0.40) PIK3CDPIK3CAPOLBJAK2KDM4E
SCHEMBL8093280 0.87 PIK3CA (0.41) PIK3CDPIK3CAKMT2AMTOR
SCHEMBL8093158 0.87 PIK3CA (0.38) PIK3CDPIK3CAPOLBALDH1A1MTOR
SCHEMBL8090994 0.86 POLB (0.39) PIK3CDPIK3CAPOLBJAK2KDM4E
SCHEMBL8095771 0.85 PIK3CD (0.43) PIK3CDPIK3CAPOLBJAK2MTOR

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