SCHEMBL6158084

SCHEMBL6158084

CNc1nc(C)c(-c2ccnc(Nc3ccc(N)cc3)n2)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.78
CDK4 P11802 13/20 0.78
CCNA2 P20248 5/20 0.78
PLK1 P53350 3/20 0.78
CDK9 P50750 10/20 0.76
CDK1 P06493 8/20 0.76
CDK7 P50613 8/20 0.76
AURKA O14965 6/20 0.76
AURKB Q96GD4 5/20 0.67
WEE1 P30291 2/20 0.66
ALK Q9UM73 2/20 0.66
CCNE1 P24864 2/20 0.66
CHEK1 O14757 1/20 0.66
DAPK3 O43293 1/20 0.66
JAK2 O60674 1/20 0.66
PRKD3 O94806 1/20 0.66
PAK4 O96013 1/20 0.66
ABL1 P00519 1/20 0.66
FYN P06241 1/20 0.66
CSF1R P07333 1/20 0.66

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
SCHEMBL2285645 0.88 CDK2 (0.78) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2288706 0.88 CDK2 (0.78) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4312523 0.88 CDK2 (1.00) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL6157175 0.88 CDK2 (0.78) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL6363137 0.88 CDK2 (0.78) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2075942 0.86 CDK2 (1.00) CDK2CDK4PLK1CDK9CDK1
SCHEMBL6159400 0.86 CDK2 (0.75) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4801285 0.86 CDK2 (0.77) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL4154423 0.85 CDK2 (0.78) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2283592 0.85 CDK2 (0.73) CDK2CDK4CCNA2PLK1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 WO disclosed