SCHEMBL7700864

SCHEMBL7700864

N#Cc1cn(Cc2ccc(F)cc2)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.44
ADK P55263 1/20 0.41
P2RX7 Q99572 1/20 0.40
RET P07949 2/20 0.39
RIPK2 O43353 1/20 0.39
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
ADORA2A P29274 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL7700930 0.89 MAPT (0.46) CFDADKRETRIPK2PIK3CD
SCHEMBL7695185 0.88 ADORA2A (0.41) CFDADKRETPIK3CDABL1
SCHEMBL7698564 0.88 ADK (0.43) CFDADKRETRIPK2PIK3CD
SCHEMBL7700385 0.87 ADORA2A (0.52) CFDADKRETPIK3CDABL1
SCHEMBL7696329 0.84 ADK (0.41) CFDADKRETPIK3CDABL1
SCHEMBL7701968 0.84 RIPK2 (0.45) CFDADKRIPK2PIK3CDABL1
SCHEMBL7701985 0.82 SLC29A1 (0.44) CFDADKPIK3CDPIK3CAPIK3CB
SCHEMBL19780034 0.79 KLKB1 (0.52) CFDADKRET
SCHEMBL7703250 0.79 CFD (0.42) CFDADKRETRIPK2PIK3CD
SCHEMBL17406909 0.79 RPS6KB1 (0.41) P2RX7RETRIPK2SRCADORA2A

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed