SCHEMBL7701238

SCHEMBL7701238

CC(c1ccc(F)cc1)n1c(Br)c(C#N)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
LRRK2 Q5S007 10/20 0.46
RET P07949 1/20 0.42
PIK3CD O00329 5/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CA P42336 3/20 0.39
KDR P35968 3/20 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
MTOR P42345 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7701087 0.89 DYRK1A (0.57) DYRK1ALRRK2RETPIK3CDPIK3CG
SCHEMBL7699522 0.89 LRRK2 (0.56) DYRK1ALRRK2RETPIK3CDPIK3CB
SCHEMBL7701080 0.80 LRRK2 (0.56) DYRK1ALRRK2RETPIK3CDPIK3CG
SCHEMBL7695818 0.78 KDR (0.45) DYRK1ALRRK2RETPIK3CDPIK3CB
SCHEMBL7697867 0.75 DYRK1A (0.54) DYRK1ALRRK2RETKDM4EALDH1A1
SCHEMBL7701231 0.74 DYRK1A (0.55) DYRK1ALRRK2RETKDM4EALDH1A1
SCHEMBL30582621 0.73 DYRK1A (1.00) DYRK1ALRRK2PIK3CDPIK3CBPIK3CG
SCHEMBL26110102 0.73 DYRK1A (1.00) DYRK1ALRRK2PIK3CDPIK3CBPIK3CG
SCHEMBL7700326 0.68 LRRK2 (0.52) DYRK1ALRRK2RETKDM4EALDH1A1
SCHEMBL29590003 0.67 DYRK1A (0.63) DYRK1ALRRK2RET

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