SCHEMBL6594955

SCHEMBL6594955

COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3c(C)nc(C)n3C)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 1.00
CDK4 P11802 6/20 0.74
CDK1 P06493 2/20 0.53
IKBKB O14920 3/20 0.48
SYK P43405 1/20 0.45

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
SCHEMBL4855523 0.91 CDK2 (0.83) CDK2CDK4CDK1IKBKB
SCHEMBL4820462 0.89 CDK2 (0.80) CDK2CDK4CDK1IKBKB
SCHEMBL4817036 0.88 CDK2 (0.79) CDK2CDK4CDK1IKBKB
Dimethylamine SCHEMBL6593494 0.88 CDK2 (0.78) CDK2CDK4CDK1IKBKB
SCHEMBL6593492 0.85 CDK2 (0.74) CDK2CDK4CDK1IKBKB
SCHEMBL4818566 0.85 CDK2 (1.00) CDK2CDK4CDK1
SCHEMBL6596039 0.84 CDK2 (0.72) CDK2CDK4CDK1IKBKB
SCHEMBL4817051 0.84 CDK2 (0.72) CDK2CDK4CDK1IKBKB
SCHEMBL6364557 0.84 CDK2 (0.72) CDK2CDK4CDK1IKBKB
SCHEMBL4821591 0.84 CDK2 (0.72) CDK2CDK4CDK1IKBKBSYK

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed