SCHEMBL6844686

SCHEMBL6844686

O=C1CN(C2CCOC2)c2nc(-c3cn[nH]c3-c3nccs3)ncc2N1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.61
PLK2 Q9NYY3 5/20 0.61
PLK3 Q9H4B4 1/20 0.45
PRKDC P78527 1/20 0.37
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
JAK2 O60674 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
SCHEMBL6844827 0.95 PLK1 (0.60) PLK1PLK2PLK3PRKDCPIK3CA
SCHEMBL6844759 0.84 PLK1 (0.47) PLK1PLK2PLK3PRKDCPIK3CA
SCHEMBL6844665 0.83 PLK1 (0.47) PLK1PLK2PLK3PRKDCPIK3CA
SCHEMBL6844840 0.81 PLK1 (0.51) PLK1PLK2PLK3PIK3CAMTOR
SCHEMBL6844664 0.78 PLK1 (0.52) PLK1PLK2PLK3
SCHEMBL2048108 0.76 PLK2 (1.00) PLK1PLK2PLK3
SCHEMBL12277533 0.76 PLK2 (1.00) PLK1PLK2PLK3
SCHEMBL6911355 0.72 PLK1 (0.50) PLK1PLK2PLK3
SCHEMBL2049281 0.72 PLK1 (1.00) PLK1PLK2PLK3
SCHEMBL2049275 0.72 PLK1 (1.00) 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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed