SCHEMBL8227604

SCHEMBL8227604

Cc1nccc(-c2cnn(C)c2N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.41
DYRK1B Q9Y463 4/20 0.41
CDK2 P24941 3/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK3 O43781 1/20 0.35
CLK3 P49761 1/20 0.35
JAK3 P52333 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PNCK Q6P2M8 1/20 0.35

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 0.85 DYRK1A (0.54) DYRK1ADYRK1BCDK2KDM4EALDH1A1
SCHEMBL8233833 0.80 DYRK1A (0.56) DYRK1ACDK2MKNK2GSK3B
SCHEMBL8234875 0.79 DYRK1A (0.36) DYRK1ADYRK1BCDK2ALDH1A1POLB
SCHEMBL16320863 0.78 TGFBR1 (0.47) DYRK1ADYRK1BCDK2KDM4ELMNA
SCHEMBL8234099 0.78 DYRK1A (0.35) DYRK1ADYRK1BCDK2ALDH1A1POLB
SCHEMBL5312173 0.78 DYRK1A (0.36) DYRK1ADYRK1BCDK2KDM4EALDH1A1
SCHEMBL16003806 0.76 KDM4E (0.42) DYRK1ADYRK1BCDK2KDM4ELMNA
SCHEMBL5314533 0.76 DYRK1A (0.34) DYRK1ADYRK1BCDK2ALDH1A1POLB
SCHEMBL8233534 0.75 CXCR4 (0.44) DYRK1ADYRK1BCDK2MKNK2GSK3B
SCHEMBL8235923 0.74 MKNK1 (0.43) DYRK1ADYRK1BCDK2MKNK2GSK3B

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