SCHEMBL7701087

SCHEMBL7701087

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.57
LRRK2 Q5S007 10/20 0.52
FYN P06241 1/20 0.41
ABL1 P00519 2/20 0.40
RET P07949 1/20 0.40
SRC P12931 3/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 1/20 0.39
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 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
SCHEMBL7701238 0.89 DYRK1A (0.56) DYRK1ALRRK2ABL1RETSRC
SCHEMBL7701080 0.88 LRRK2 (0.56) DYRK1ALRRK2FYNABL1RET
SCHEMBL7699522 0.78 LRRK2 (0.56) DYRK1ALRRK2ABL1RETSRC
SCHEMBL7701691 0.76 KDR (0.49) LRRK2FYNABL1RETSRC
SCHEMBL30582621 0.74 DYRK1A (1.00) DYRK1ALRRK2ABL1SRCKDR
SCHEMBL26110102 0.74 DYRK1A (1.00) DYRK1ALRRK2ABL1SRCKDR
SCHEMBL8991102 0.73 DYRK1A (0.56) DYRK1ALRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL7696582 0.71 DYRK1A (0.57) DYRK1ALRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL7695720 0.71 DYRK1A (0.56) DYRK1ALRRK2ABL1SRCPIK3CD
SCHEMBL7701581 0.70 DYRK1A (0.55) DYRK1ALRRK2PIK3CDPIK3CAPIK3CG

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