SCHEMBL6840386

SCHEMBL6840386

COC(=O)Nc1cnccc1-c1ncc2c(n1)N(C(C)C)CC(=O)N2C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.34
RPS6KA3 P51812 2/20 0.33
ATR Q13535 2/20 0.33
BRD4 O60885 3/20 0.32
PLK1 P53350 3/20 0.32
BRDT Q58F21 2/20 0.32
GSK3B P49841 4/20 0.31
MAPT P10636 3/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL6840522 0.91 USP1 (0.35) STK4RPS6KA3ATRGSK3BMAPT
SCHEMBL7742264 0.85 KCNA5 (0.34) STK4RPS6KA3
SCHEMBL6840300 0.83 PLK1 (0.48) BRD4PLK1BRDT
SCHEMBL6840403 0.80 STK4 (0.38) STK4RPS6KA3PLK1
SCHEMBL6844424 0.79 CYP11B2 (0.35) STK4RPS6KA3PLK1
SCHEMBL2027903 0.79 PLK1 (0.51) RPS6KA3BRD4PLK1BRDT
SCHEMBL2027902 0.79 PLK1 (0.51) RPS6KA3BRD4PLK1BRDT
SCHEMBL6844422 0.78 STK4 (0.36) STK4RPS6KA3PLK1
SCHEMBL6844502 0.75 STK4 (0.37) STK4RPS6KA3PLK1
SCHEMBL7743634 0.73 PLK1 (0.46) BRD4PLK1BRDT

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