SCHEMBL23625967

SCHEMBL23625967

Ic1cnc2c(ccc3ccncc32)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAPK10 P53779 4/20 0.40
MAPT P10636 7/20 0.39
HIPK2 Q9H2X6 1/20 0.36
TNF P01375 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
HASPIN Q8TF76 3/20 0.35
PIM1 P11309 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
MAOA P21397 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL22846538 0.78 CCR1 (0.52) MAPTKDM4EHTTCCR1CCR5
SCHEMBL24581695 0.78 ALDH1A1 (0.41) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL25878168 0.75 CLK1 (0.45) CLK1DYRK1AMAPK10HIPK2TNF
SCHEMBL25054661 0.75 CLK1 (0.45) CLK1DYRK1AMAPK10HIPK2TNF
SCHEMBL18583892 0.73 MAPT (0.40) CLK1DYRK1AMAPK10MAPTKDM4E
SCHEMBL1419171 0.72 LMNA (0.58) CLK1DYRK1AMAPK10MAPTTNF
SCHEMBL29568934 0.72 LMNA (0.58) CLK1DYRK1AMAPK10MAPTTNF
SCHEMBL17532798 0.72 CLK1 (0.58) CLK1DYRK1AMAPK10HIPK2TNF
SCHEMBL672509 0.71 CLK1 (0.54) CLK1DYRK1AMAPK10HIPK2TNF
SCHEMBL29569821 0.71 CLK1 (0.54) CLK1DYRK1AMAPK10HIPK2TNF

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-2021135181-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed