SCHEMBL6244692

SCHEMBL6244692

COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.78
CDK1 P06493 3/20 0.76
CDK4 P11802 6/20 0.69
IGF1R P08069 1/20 0.49
IKBKB O14920 1/20 0.46

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
SCHEMBL6245840 0.95 CDK2 (0.76) CDK2CDK1CDK4IGF1RIKBKB
SCHEMBL6240851 0.90 CDK2 (0.82) CDK2CDK1CDK4IGF1RIKBKB
SCHEMBL27584963 0.86 CDK2 (1.00) CDK2CDK1CDK4IGF1R
SCHEMBL6242590 0.85 CDK2 (0.71) CDK2CDK1CDK4IKBKB
SCHEMBL4818566 0.82 CDK2 (1.00) CDK2CDK1CDK4
SCHEMBL5108640 0.81 CDK2 (0.81) CDK2CDK1CDK4
SCHEMBL28941593 0.81 CDK2 (1.00) CDK2CDK1CDK4IGF1R
SCHEMBL6243416 0.81 CDK2 (0.66) CDK2CDK1CDK4IGF1R
SCHEMBL5095501 0.80 CDK2 (0.80) CDK2CDK1CDK4
SCHEMBL5092316 0.80 CDK2 (1.00) CDK2CDK1CDK4

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