SCHEMBL8234875

SCHEMBL8234875

C=Cc1nccc(-c2cnn(C)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.36
GSK3B P49841 3/20 0.33
CDK4 P11802 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CLK2 P49760 2/20 0.32
CLK3 P49761 2/20 0.32
JAK3 P52333 2/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
PNCK Q6P2M8 1/20 0.32
HASPIN Q8TF76 1/20 0.32
DYRK2 Q92630 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
STK39 Q9UEW8 1/20 0.32

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
SCHEMBL8228313 0.80 DYRK1A (0.54) DYRK1AGSK3BCDK4ALDH1A1CDK5
SCHEMBL8227604 0.79 DYRK1A (0.41) DYRK1AGSK3BALDH1A1POLBCDK5
SCHEMBL8233833 0.75 DYRK1A (0.56) DYRK1AGSK3BCDK4MKNK2CDK2
SCHEMBL5312173 0.73 DYRK1A (0.36) DYRK1AGSK3BALDH1A1POLBCDK5
SCHEMBL8234099 0.73 DYRK1A (0.35) DYRK1AGSK3BALDH1A1POLBCDK5
SCHEMBL5314533 0.71 DYRK1A (0.34) DYRK1AGSK3BALDH1A1POLBCDK5
SCHEMBL8233534 0.70 CXCR4 (0.44) DYRK1AGSK3BCDK4MKNK2DYRK1B
SCHEMBL8235923 0.69 MKNK1 (0.43) DYRK1AGSK3BCDK4MKNK2DYRK1B
SCHEMBL10520969 0.69 TDO2 (0.47) ALDH1A1POLBSMN1; SMN2GLA
SCHEMBL8233943 0.69 CDK4 (0.54) DYRK1AGSK3BCDK4CDK2CCNA2

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-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed