SCHEMBL16390761

SCHEMBL16390761

CC1C(=O)N(C)c2cnc(Cl)nc2N1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 6/20 0.44
PLK1 P53350 5/20 0.44
VRK1 Q99986 2/20 0.40
MAPT P10636 1/20 0.39
STK4 Q13043 3/20 0.37
PIN1 Q13526 1/20 0.36
RPS6KA3 P51812 2/20 0.36
HCRTR2 O43614 2/20 0.33
BRD4 O60885 1/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL4 Q96JB6 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL14952202 0.87 PIN1 (0.39) PLK2PLK1MAPTPIN1HCRTR2
SCHEMBL13814861 0.85 PIN1 (0.41) VRK1MAPTSTK4PIN1BRD4
SCHEMBL13814860 0.85 MAPT (0.39) PLK2PLK1VRK1MAPTPIN1
SCHEMBL2026027 0.84 PLK2 (0.62) PLK2PLK1
SCHEMBL15826167 0.82 PLK1 (0.37) PLK2PLK1VRK1BRD4LOX
SCHEMBL16371646 0.82 PLK1 (0.37) PLK2PLK1VRK1BRD4LOX
SCHEMBL21492526 0.79 STK4 (0.50) VRK1STK4RPS6KA3BRD4
SCHEMBL21261610 0.79 STK4 (0.50) VRK1STK4RPS6KA3BRD4
SCHEMBL4079498 0.79 MAPT (0.39) PLK2PLK1VRK1MAPTSTK4
SCHEMBL21493004 0.75 VRK1 (0.46) PLK2PLK1VRK1STK4RPS6KA3

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
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed