SCHEMBL7701080

SCHEMBL7701080

CC(c1ccccc1)n1c(N)c(C#N)c2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.56
DYRK1A Q13627 1/20 0.47
FYN P06241 3/20 0.43
ABL1 P00519 2/20 0.41
RET P07949 2/20 0.41
PIK3CD O00329 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7699522 0.90 LRRK2 (0.56) LRRK2DYRK1AABL1RETPIK3CD
SCHEMBL7701087 0.88 DYRK1A (0.57) LRRK2DYRK1AFYNABL1RET
SCHEMBL7701238 0.80 DYRK1A (0.56) LRRK2DYRK1AABL1RETPIK3CD
SCHEMBL7701691 0.75 KDR (0.49) LRRK2FYNABL1RETPIK3CD
SCHEMBL8991109 0.72 KDM4E (0.59) LRRK2DYRK1API4KBCDK5CDK5R1
SCHEMBL3869722 0.72 LMNA (0.43) KDM4E
SCHEMBL7698547 0.68 LRRK2 (0.56) LRRK2DYRK1APIK3CDPIK3CAPIK3CG
SCHEMBL7695818 0.68 KDR (0.45) LRRK2DYRK1AABL1RETPIK3CD
SCHEMBL8991442 0.68 LRRK2 (0.53) LRRK2DYRK1APIK3CDEGFRSRC
SCHEMBL13268766 0.68 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