SCHEMBL1447572

SCHEMBL1447572

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCOCC4)cc3)ncc2F)n1C(C)C

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.78
CDK1 P06493 8/20 0.78
KCNH2 Q12809 8/20 0.70

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
SCHEMBL1447906 0.97 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1447431 0.91 CDK2 (0.66) CDK2CDK1KCNH2
SCHEMBL1447250 0.90 KCNH2 (0.68) CDK2CDK1KCNH2
SCHEMBL1447608 0.88 CDK2 (0.85) CDK2CDK1KCNH2
SCHEMBL1447212 0.88 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1448607 0.88 CDK2 (0.70) CDK2CDK1KCNH2
SCHEMBL1447867 0.88 CDK2 (0.62) CDK2CDK1KCNH2
SCHEMBL3947242 0.87 CDK2 (1.00) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL1156557 0.86 CDK2 (0.98) CDK2CDK1KCNH2
SCHEMBL1447939 0.86 CDK2 (0.84) CDK2CDK1KCNH2

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-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed