SCHEMBL21189494

SCHEMBL21189494

Cc1nn2c(N(Cc3cccc(-c4nccn4C)c3)C(=O)OC(C)(C)C)cc(CO)nc2c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.35
MCL1 Q07820 1/20 0.32
KIF18A Q8NI77 1/20 0.31
FFAR1 O14842 4/20 0.31
NMT1 P30419 1/20 0.31
F2 P00734 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL21189441 0.93 PDK1 (0.34) PDK1MCL1KIF18ANMT1
SCHEMBL30391515 0.93 PDK1 (0.34) PDK1MCL1KIF18ANMT1
SCHEMBL21189604 0.90 PDK1 (0.35) PDK1MCL1KIF18AFFAR1NMT1
SCHEMBL21189495 0.89 PDK1 (0.34) PDK1MCL1FFAR1NMT1
SCHEMBL21189623 0.88 PDK1 (0.34) PDK1MCL1FFAR1
SCHEMBL21189836 0.87 PDK1 (0.34) PDK1MCL1KIF18AFFAR1
SCHEMBL30391724 0.83 PDK1 (0.35) PDK1MCL1KIF18AFFAR1NMT1
SCHEMBL21189605 0.83 PDK1 (0.35) PDK1MCL1KIF18AFFAR1NMT1
SCHEMBL21177211 0.82 PDK1 (0.41) PDK1KIF18AFFAR1NMT1F2
SCHEMBL21189738 0.82 PDK1 (0.34) PDK1MCL1NMT1

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed