SCHEMBL6593229

SCHEMBL6593229

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.61
▸ CDK2 P24941 15/20 0.58
▸ CDK4 P11802 5/20 0.58
▸ CDK1 P06493 2/20 0.53
▸ CA12 O43570 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL6599115 0.92 CDK2 (0.58) IKBKBCDK2CDK4CDK1
SCHEMBL6595912 0.92 CDK2 (0.59) IKBKBCDK2CDK4CDK1
SCHEMBL6598403 0.88 ABL1 (0.51) IKBKBCDK2CDK4CDK1ABL1
SCHEMBL6295111 0.88 CDK2 (0.68) IKBKBCDK2CDK4CDK1
SCHEMBL6596998 0.87 CDK2 (0.54) IKBKBCDK2CDK4CDK1
SCHEMBL6595834 0.84 CDK2 (0.81) IKBKBCDK2CDK4CDK1CA12
SCHEMBL27512174 0.83 CDK2 (0.49) CDK2CDK4CDK1
SCHEMBL6103355 0.83 CDK2 (0.69) IKBKBCDK2CDK4CDK1
SCHEMBL6104447 0.80 CDK2 (0.81) IKBKBCDK2CDK4CDK1
SCHEMBL6595576 0.80 CDK2 (0.77) IKBKBCDK2CDK4CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 — — CN disclosed
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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