SCHEMBL14744673

SCHEMBL14744673

NN1COc2ccccc21.Nn1c(=O)ncc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.30
RET P07949 1/20 0.30
PRKACA P17612 1/20 0.30
GRK5 P34947 1/20 0.30
CDK8 P49336 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKCQ Q04759 1/20 0.30
PTK2 Q05397 1/20 0.30
TNK2 Q07912 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL7738629 0.80 NOS2 (0.38)
SCHEMBL5263086 0.75 ABCG2 (0.44) DAPK3RETPRKACAGRK5CDK8
Hydrochloric Acid SCHEMBL12469273 0.73 ABCG2 (0.42) DAPK3RETPRKACAGRK5CDK8
Acetic Acid SCHEMBL27604418 0.68 NOTUM (0.49)
SCHEMBL30738537 0.61 CA12 (0.34) PRKACAPRKCQ
SCHEMBL7613241 0.61 KDM4E (0.43)
SCHEMBL30692889 0.61 CA12 (0.52) PRKACAPRKCQ
SCHEMBL8229991 0.61 CA12 (0.52) PRKACAPRKCQ
SCHEMBL28319074 0.61 CA12 (0.34) PRKACAPRKCQ
SCHEMBL26103119 0.59 ITGB2 (0.52)

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-2013033245-A1 BICYCLIC METHYLENE AZIRIDINES AND REACTIONS THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-07 WO disclosed