SCHEMBL7701233

SCHEMBL7701233

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
LRRK2 Q5S007 8/20 0.45
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
RIPK1 Q13546 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ABL1 P00519 2/20 0.38
SRC P12931 1/20 0.38
EIF2AK3 Q9NZJ5 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
SCHEMBL7699520 0.89 LRRK2 (0.49) DYRK1ALRRK2ADORA2AADORA1RIPK1
SCHEMBL7701231 0.87 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7696582 0.87 DYRK1A (0.57) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7701581 0.81 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7697867 0.78 DYRK1A (0.54) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL8991102 0.78 DYRK1A (0.56) DYRK1ALRRK2ADORA2AADORA1PI4KA
SCHEMBL7701084 0.77 DYRK1A (0.53) DYRK1ALRRK2ADORA2AADORA1RIPK1
SCHEMBL7698530 0.77 DYRK1A (0.50) DYRK1ALRRK2ADORA2AADORA1RIPK1
SCHEMBL7695186 0.77 MAP4K4 (0.42) LRRK2ADORA2ARIPK1PI4KAPI4K2B
SCHEMBL7700915 0.76 DYRK1A (0.50) DYRK1ALRRK2ADORA2AADORA1

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