SCHEMBL6596141

SCHEMBL6596141

Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOCCO)cc3)n2)n1C

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.80
CDK4 P11802 6/20 0.80
CDK1 P06493 2/20 0.53
IKBKB O14920 2/20 0.52

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
SCHEMBL6595834 0.92 CDK2 (0.81) CDK2CDK4CDK1IKBKB
SCHEMBL5105457 0.91 CDK2 (0.83) CDK2CDK4CDK1
Hydrochloric Acid SCHEMBL6594313 0.90 CDK2 (0.88) CDK2CDK4CDK1
Hydrochloric Acid SCHEMBL6106549 0.90 CDK2 (0.88) CDK2CDK4CDK1
SCHEMBL6106383 0.90 CDK2 (0.81) CDK2CDK4CDK1IKBKB
SCHEMBL4818566 0.89 CDK2 (1.00) CDK2CDK4CDK1
SCHEMBL6595576 0.89 CDK2 (0.77) CDK2CDK4CDK1IKBKB
SCHEMBL6592484 0.88 CDK2 (0.74) CDK2CDK4CDK1IKBKB
SCHEMBL6593392 0.87 CDK2 (0.77) CDK2CDK4CDK1
SCHEMBL6596936 0.86 CDK2 (0.81) CDK2CDK4CDK1IKBKB

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