SCHEMBL7699520

SCHEMBL7699520

N#Cc1c(N)n(CCc2cccc(F)c2)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
DYRK1A Q13627 1/20 0.42
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
RIPK1 Q13546 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7701233 0.89 DYRK1A (0.51) LRRK2KDM4EALDH1A1GAAMAPT
SCHEMBL7699518 0.86 KDM4E (0.57) LRRK2KDM4EALDH1A1GAAMAPT
SCHEMBL7701567 0.80 LRRK2 (0.50) LRRK2KDM4EALDH1A1GAAGLA
SCHEMBL7698547 0.80 LRRK2 (0.56) LRRK2KDM4EALDH1A1GAAMAPT
SCHEMBL7695186 0.78 MAP4K4 (0.42) LRRK2PI4KAPI4K2BPI4K2API4KB
SCHEMBL7700326 0.77 LRRK2 (0.52) LRRK2KDM4EALDH1A1GAAMAPT
SCHEMBL8991109 0.77 KDM4E (0.59) LRRK2KDM4EALDH1A1GAAHPGD
SCHEMBL8991072 0.76 LRRK2 (0.51) LRRK2KDM4EALDH1A1GAAGLA
SCHEMBL7701231 0.76 DYRK1A (0.55) LRRK2KDM4EALDH1A1GAAMAPT
SCHEMBL7696582 0.75 DYRK1A (0.57) LRRK2KDM4EDYRK1AKMT2AHSD17B10

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