SCHEMBL6209767

SCHEMBL6209767

CCC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.76
CDK9 P50750 11/20 0.76
AURKA O14965 10/20 0.76
AURKB Q96GD4 10/20 0.76
CDK4 P11802 9/20 0.76
CDK1 P06493 5/20 0.74
WEE1 P30291 5/20 0.67
JAK2 O60674 5/20 0.67
FLT3 P36888 4/20 0.67
JAK3 P52333 4/20 0.67
CHEK1 O14757 3/20 0.67
DAPK3 O43293 3/20 0.67
PRKD3 O94806 3/20 0.67
PAK4 O96013 3/20 0.67
ABL1 P00519 3/20 0.67
FYN P06241 3/20 0.67
CSF1R P07333 3/20 0.67
RET P07949 3/20 0.67
MET P08581 3/20 0.67
FGFR1 P11362 3/20 0.67

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
SCHEMBL4841556 0.91 CDK2 (0.71) CDK2CDK9AURKAAURKBCDK4
SCHEMBL2075354 0.91 CDK2 (0.70) CDK2CDK9AURKAAURKBCDK4
SCHEMBL16366078 0.87 CDK2 (0.65) CDK2CDK9AURKAAURKBCDK4
SCHEMBL2076207 0.86 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK4
SCHEMBL16324470 0.86 CDK2 (0.64) CDK2CDK9AURKAAURKBCDK4
SCHEMBL16366480 0.86 CDK2 (0.64) CDK2CDK9AURKAAURKBCDK4
SCHEMBL2075969 0.85 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4157096 0.83 CDK2 (0.82) CDK2CDK9AURKAAURKBCDK4
SCHEMBL4152059 0.83 CDK2 (0.82) CDK2CDK9AURKAAURKBCDK4
SCHEMBL6208539 0.83 CDK2 (0.64) CDK2CDK9AURKAAURKBCDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed