SCHEMBL6595912

SCHEMBL6595912

Cn1cncc1-c1ccnc(Nc2ccc(S(=O)(=O)NCCOCCO)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.59
▸ CDK4 P11802 6/20 0.59
▸ IKBKB O14920 4/20 0.52
▸ CDK1 P06493 2/20 0.51

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
SCHEMBL6593229 0.92 IKBKB (0.61) CDK2CDK4IKBKBCDK1
SCHEMBL6599115 0.86 CDK2 (0.58) CDK2CDK4IKBKBCDK1
SCHEMBL6596141 0.86 CDK2 (0.80) CDK2CDK4IKBKBCDK1
SCHEMBL6295111 0.86 CDK2 (0.68) CDK2CDK4IKBKBCDK1
SCHEMBL6596998 0.84 CDK2 (0.54) CDK2CDK4IKBKBCDK1
SCHEMBL6106383 0.83 CDK2 (0.81) CDK2CDK4IKBKBCDK1
SCHEMBL6598403 0.82 ABL1 (0.51) CDK2CDK4IKBKBCDK1
SCHEMBL6414318 0.79 CDK2 (0.69) CDK2CDK4IKBKBCDK1
SCHEMBL5092267 0.79 CDK2 (0.73) CDK2CDK4IKBKBCDK1
SCHEMBL5105389 0.79 CDK2 (0.72) CDK2CDK4IKBKBCDK1

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
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