SCHEMBL7703717

SCHEMBL7703717

CNc1ncnc2c1c(C#N)c(Br)n2CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LRRK2 Q5S007 1/20 0.43
ATM Q13315 1/20 0.42
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
FBP1 P09467 1/20 0.42
TMIGD3 P0DMS9 3/20 0.42
ADORA2B P29275 3/20 0.42
DYRK1A Q13627 1/20 0.41
NR2F2 P24468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 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
SCHEMBL7696582 0.84 DYRK1A (0.57) MEN1KMT2ALRRK2ADORA2AADORA1
SCHEMBL7701581 0.77 DYRK1A (0.55) MEN1KMT2ALRRK2ADORA2AADORA1
SCHEMBL8991158 0.77 KMT2A (0.49) MEN1KMT2ARAB9ANPC1LRRK2
SCHEMBL7701231 0.73 DYRK1A (0.55) LRRK2ADORA2AADORA1DYRK1AKDM4E
SCHEMBL8991180 0.73 LRRK2 (0.43) MEN1KMT2ARAB9ANPC1LRRK2
SCHEMBL7701233 0.72 DYRK1A (0.51) LRRK2ADORA2AADORA1DYRK1AKDM4E
SCHEMBL8991102 0.71 DYRK1A (0.56) MEN1KMT2ARAB9ANPC1LRRK2
SCHEMBL8991348 0.70 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1LRRK2
SCHEMBL7700915 0.69 DYRK1A (0.50) KMT2ALRRK2ADORA2AADORA1DYRK1A
SCHEMBL8991276 0.68 MEN1 (0.40) MEN1KMT2ARAB9ANPC1LRRK2

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