SCHEMBL5314533

SCHEMBL5314533

Cn1ncc(-c2ccnc(C(N)CN)n2)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
DYRK3 O43781 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
PNCK Q6P2M8 1/20 0.30
HASPIN Q8TF76 1/20 0.30
DYRK2 Q92630 1/20 0.30
HIPK2 Q9H2X6 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
SCHEMBL8228313 0.77 DYRK1A (0.54) DYRK1AALDH1A1JAK2DYRK3CLK1
SCHEMBL8227604 0.76 DYRK1A (0.41) DYRK1AALDH1A1POLBJAK3SMN1; SMN2
SCHEMBL8233534 0.73 CXCR4 (0.44) DYRK1AMKNK2DYRK1BCDK2GSK3B
SCHEMBL8233833 0.72 DYRK1A (0.56) DYRK1AMKNK2CDK2GSK3B
SCHEMBL8234875 0.71 DYRK1A (0.36) DYRK1AALDH1A1POLBJAK2JAK1
SCHEMBL8234099 0.70 DYRK1A (0.35) DYRK1AALDH1A1POLBJAK3SMN1; SMN2
SCHEMBL5312173 0.70 DYRK1A (0.36) DYRK1AALDH1A1POLBJAK2JAK1
SCHEMBL8235675 0.69 DYRK1A (0.45) DYRK1AJAK2DYRK3CDK5CDK5R1
SCHEMBL8235923 0.69 MKNK1 (0.43) DYRK1AJAK2MKNK2DYRK1BCDK2
SCHEMBL8235083 0.67 CDK2 (0.36) DYRK1ADYRK3CDK5CDK5R1DYRK2

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