SCHEMBL8991293

SCHEMBL8991293

COc1ccc(Cn2c(N)c(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
LRRK2 Q5S007 6/20 0.52
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
DYRK1A Q13627 1/20 0.44
PDE8B O95263 1/20 0.43
MEN1 O00255 1/20 0.43
PI4KB Q9UBF8 2/20 0.43

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
SCHEMBL7699827 0.89 DYRK1A (0.54) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL8991316 0.88 ALDH1A1 (0.55) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL8990998 0.87 LRRK2 (0.56) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL7700997 0.87 LRRK2 (0.55) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL7696350 0.85 LRRK2 (0.53) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL7695719 0.85 LRRK2 (0.53) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL7700326 0.84 LRRK2 (0.52) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL8991109 0.84 KDM4E (0.59) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL8991189 0.84 LRRK2 (0.52) GLAKDM4EALDH1A1GAAKMT2A
SCHEMBL7703709 0.81 LRRK2 (0.49) GLAKDM4EALDH1A1GAAKMT2A

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