SCHEMBL28024744

SCHEMBL28024744

N#Cc1cncc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.50
CHRNA4 P43681 10/20 0.50
CHRNB4 P30926 7/20 0.50
CHRNA3 P32297 7/20 0.50
CHEK1 O14757 1/20 0.48
LRRK2 Q5S007 3/20 0.48
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADK P55263 1/20 0.45
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 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
SCHEMBL31421618 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL12396830 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LRRK2
SCHEMBL30665759 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LRRK2
SCHEMBL7196139 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL7592708 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL12205229 0.82 LRRK2 (0.51) CHRNB2CHRNA4LRRK2KDM4ELMNA
SCHEMBL20708231 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4725669 0.80 KDM4E (0.51) KDM4ENSD2LMNAMAPTTSHR
SCHEMBL17843208 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHEK1
SCHEMBL14299569 0.80 ADK (0.47) CHRNB2CHRNA4CHEK1LRRK2KDM4E

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed