SCHEMBL7742264

SCHEMBL7742264

COC(=O)NCc1cnccc1-c1ncc2c(n1)N(C(C)C)CC(=O)N2C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.34
RPS6KA3 P51812 2/20 0.33
STK4 Q13043 1/20 0.33
SOST Q9BQB4 1/20 0.32
ROCK2 O75116 2/20 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
SCHEMBL6844424 0.91 CYP11B2 (0.35) RPS6KA3STK4SOSTROCK2
SCHEMBL6840386 0.85 STK4 (0.34) RPS6KA3STK4
SCHEMBL6844502 0.84 STK4 (0.37) RPS6KA3STK4
SCHEMBL6844422 0.83 STK4 (0.36) RPS6KA3STK4
SCHEMBL12452347 0.80 PLK1 (0.50)
SCHEMBL6840522 0.79 USP1 (0.35) RPS6KA3STK4
SCHEMBL6840403 0.78 STK4 (0.38) RPS6KA3STK4
SCHEMBL12451842 0.75 PLK1 (0.52) RPS6KA3
SCHEMBL6844466 0.73 PLK1 (0.48)
SCHEMBL2341484 0.71 PLK1 (0.51) STK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed