SCHEMBL6844502

SCHEMBL6844502

CC(C)N1CC(=O)N(C)c2cnc(-c3ccncc3CNS(C)(=O)=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.37
RPS6KA3 P51812 2/20 0.33
DCLK1 O15075 1/20 0.31
ENPP1 P22413 1/20 0.30
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30
PIK3CA P42336 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
SCHEMBL6844424 0.85 CYP11B2 (0.35) STK4RPS6KA3PLK1PLK3PLK2
SCHEMBL6844422 0.85 STK4 (0.36) STK4RPS6KA3PLK1PLK3PLK2
SCHEMBL7742264 0.84 KCNA5 (0.34) STK4RPS6KA3
SCHEMBL2347759 0.80 PLK1 (0.51) STK4PLK1PLK3PLK2
SCHEMBL2347754 0.80 PLK1 (0.51) STK4PLK1PLK3PLK2
SCHEMBL6840403 0.80 STK4 (0.38) STK4RPS6KA3PLK1PLK3PLK2
SCHEMBL6840522 0.77 USP1 (0.35) STK4RPS6KA3PIK3CA
SCHEMBL6840386 0.75 STK4 (0.34) STK4RPS6KA3PLK1
SCHEMBL2032478 0.74 PLK1 (0.54) PLK1PLK3PLK2
SCHEMBL2032483 0.74 PLK1 (0.54) PLK1PLK3PLK2

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed