SCHEMBL7701691

SCHEMBL7701691

CC(c1ccccc1)n1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
TEK Q02763 3/20 0.49
SRC P12931 7/20 0.46
LRRK2 Q5S007 3/20 0.45
LCK P06239 2/20 0.44
ADK P55263 1/20 0.43
FYN P06241 1/20 0.43
ABL1 P00519 6/20 0.41
RET P07949 2/20 0.41
PIK3CD O00329 4/20 0.41
EGFR P00533 4/20 0.41
HCK P08631 4/20 0.41
PIK3CA P42336 4/20 0.41
MTOR P42345 4/20 0.41
PIK3CG P48736 4/20 0.41
EPHB4 P54760 4/20 0.41
PRKDC P78527 4/20 0.41
PIK3CB P42338 3/20 0.41
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL7695818 0.88 KDR (0.45) KDRTEKSRCLRRK2LCK
SCHEMBL6364076 0.83 KDR (0.56) KDRTEKSRCLRRK2LCK
SCHEMBL7700357 0.77 SRC (0.47) KDRTEKSRCLCKADK
SCHEMBL7701087 0.76 DYRK1A (0.57) KDRTEKSRCLRRK2FYN
SCHEMBL7701080 0.75 LRRK2 (0.56) KDRSRCLRRK2FYNABL1
SCHEMBL6434095 0.72 LRRK2 (0.54) KDRTEKSRCLRRK2LCK
SCHEMBL7700385 0.72 ADORA2A (0.52) SRCLRRK2ADKABL1RET
SCHEMBL18526522 0.71 ADK (0.46) KDRTEKSRCLRRK2LCK
SCHEMBL21078585 0.71 ADA (0.43) LRRK2ADK
SCHEMBL13268766 0.70 ADORA2A (0.65) PIK3CDEGFRPI4KB

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