SCHEMBL8991348

SCHEMBL8991348

CNc1ncnc2c1c(C#N)c(N)n2Cc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
LRRK2 Q5S007 5/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 1/20 0.38
PDE1A P54750 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
SCHEMBL8991442 0.87 LRRK2 (0.53) ALDH1A1KDM4ELMNALRRK2KMT2A
SCHEMBL8991158 0.85 KMT2A (0.49) ALDH1A1KDM4ELMNALRRK2PDE4A
SCHEMBL8990982 0.82 GAA (0.42) ALDH1A1KDM4ELMNALRRK2KMT2A
SCHEMBL8991276 0.81 MEN1 (0.40) ALDH1A1KDM4ELMNALRRK2KMT2A
SCHEMBL8991122 0.79 PDE4A (0.41) ALDH1A1KDM4ELMNAPDE4APDE4B
SCHEMBL8991296 0.79 PDE4A (0.41) ALDH1A1KDM4ELMNAPDE4APDE4B
SCHEMBL7695720 0.77 DYRK1A (0.56) ALDH1A1KDM4ELMNALRRK2HSD17B10
SCHEMBL8991067 0.77 KDM4E (0.39) ALDH1A1KDM4ELMNALRRK2KMT2A
SCHEMBL8991316 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ELMNALRRK2KMT2A
SCHEMBL8991300 0.77 PDE4A (0.43) ALDH1A1KDM4ELMNAPDE4APDE4B

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-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed