Sugi Predict

Sugi Predict / Compounds / SCHEMBL6844759

SCHEMBL6844759

SCHEMBL6844759

Cn1ncc(-c2ncc3c(n2)N(C2CCOC2)CC(=O)N3)c1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.47
▸ PLK2 Q9NYY3 5/20 0.47
▸ PRKDC P78527 1/20 0.41
▸ PIK3CA P42336 3/20 0.37
▸ MTOR P42345 3/20 0.37
▸ JAK2 O60674 2/20 0.35
▸ PLK3 Q9H4B4 1/20 0.33

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
SCHEMBL6844665 0.86 PLK1 (0.47) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL6844686 0.84 PLK1 (0.61) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL6844827 0.79 PLK1 (0.60) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL12277122 0.76 PLK2 (0.75) PLK1PLK2PLK3
SCHEMBL2048380 0.76 PLK2 (0.75) PLK1PLK2PLK3
SCHEMBL1288490 0.71 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL2689571 0.71 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL2689568 0.71 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL1288480 0.71 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL5931421 0.71 PLK1 (0.55) PLK1PLK2PLK3

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
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 — — WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 — — WO disclosed