SCHEMBL7358528

SCHEMBL7358528

COc1cccc2c(C#N)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
NTRK1 P04629 1/20 0.42
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ITK Q08881 1/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
MET P08581 1/20 0.40
NQO2 P16083 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 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
SCHEMBL5748255 0.80 MET (0.43) ALDH1A1METMAPTMEN1POLB
SCHEMBL14387620 0.78 NTRK1 (0.40) KDM4EALDH1A1HPGDNTRK1DYRK1A
SCHEMBL28369687 0.76 CHEK1 (0.55) KDM4EALDH1A1HPGDDYRK1ACDK5
SCHEMBL5484683 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDDYRK1AITK
SCHEMBL20674039 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDDYRK1AITK
SCHEMBL7357858 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDDYRK1AITK
SCHEMBL30548013 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDDYRK1AITK
SCHEMBL30039348 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDDYRK1AITK
SCHEMBL24056601 0.74 MET (0.40) KDM4EALDH1A1HPGDMETPOLB
SCHEMBL30024695 0.74 MET (0.40) KDM4EALDH1A1HPGDMETPOLB

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
WO-1991001316-A1 NEW 9-AZABICYCLO[3.3.1]NONANE-DERIVATE BEECHAM GROUP PLC (GB) 1991-02-07 WO disclosed