SCHEMBL8235083

SCHEMBL8235083

CCC(COC)Nc1nccc(-c2cnn(C)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.36
CDK4 P11802 5/20 0.36
CCNA2 P20248 4/20 0.36
CDK1 P06493 2/20 0.36
CCNE1 P24864 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
GSK3B P49841 6/20 0.36
DHODH Q02127 1/20 0.36
IDH1 O75874 1/20 0.35
DYRK1A Q13627 3/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL8235675 0.88 DYRK1A (0.45) CDK2CDK4CCNA2CCNE1GSK3B
SCHEMBL8233833 0.76 DYRK1A (0.56) CDK2CDK4GSK3BDYRK1AMKNK1
SCHEMBL8233534 0.73 CXCR4 (0.44) CDK2CDK4GSK3BDYRK1AMKNK1
SCHEMBL8235923 0.72 MKNK1 (0.43) CDK2CDK4GSK3BDYRK1AMKNK1
SCHEMBL8234846 0.70 CDK4 (0.44) CDK2CDK4CCNA2CDK1CCNE1
SCHEMBL8228313 0.70 DYRK1A (0.54) CDK2CDK4CCNA2CCNE1GSK3B
SCHEMBL8237976 0.70 DYRK1A (0.51) CDK2CDK4CDK1GSK3BDYRK1A
SCHEMBL8233943 0.69 CDK4 (0.54) CDK2CDK4CCNA2CDK1CCNE1
SCHEMBL8227604 0.69 DYRK1A (0.41) CDK2GSK3BDYRK1AMKNK2DYRK3
SCHEMBL5314566 0.68 CDK4 (0.46) CDK2CDK4CCNA2CDK1CCNE1

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