SCHEMBL6243791

SCHEMBL6243791

CNS(=O)(=O)c1ccc(Nc2nccc(-c3c(C)nc4cccnn34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.57
CDK4 P11802 6/20 0.57
CCNE1 P24864 2/20 0.50
IKBKB O14920 3/20 0.46
GSK3B P49841 2/20 0.43
DKK1 O94907 1/20 0.43
CDK1 P06493 4/20 0.43
IGF1R P08069 1/20 0.43
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
CCNA1 P78396 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL6242590 0.85 CDK2 (0.71) CDK2CDK4CCNE1IKBKBCDK1
SCHEMBL6245628 0.84 CDK2 (0.69) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL7978098 0.82 CDK2 (0.57) CDK2CDK4CCNE1IKBKBGSK3B
SCHEMBL6596039 0.80 CDK2 (0.72) CDK2CDK4CCNE1IKBKBGSK3B
SCHEMBL700061 0.80 CAMK2D (0.54) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL7978102 0.80 CDK2 (0.50) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL4826639 0.78 CDK2 (0.57) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL4824463 0.78 CDK2 (0.58) CDK2CDK4CCNE1IKBKBGSK3B
SCHEMBL10285690 0.76 CDK2 (0.46) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL4146725 0.75 ABL1 (0.66) IKBKBGSK3BDKK1MAPK8

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
EP-1362050-B1 PYRIMIDINE DERIVATIVES FOR INHIBITION OF CELL-PROLIFERATION ASTRAZENECA AB (SE) 2005-02-02 EP claimed