SCHEMBL4451664

SCHEMBL4451664

Cc1ncc(-c2nc(Nc3cc[c]cc3)ncc2F)n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.69
KCNH2 Q12809 8/20 0.69
CDK1 P06493 7/20 0.61

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
SCHEMBL27369663 0.88 CDK2 (0.75) CDK2KCNH2CDK1
SCHEMBL5234131 0.88 CDK2 (0.72) CDK2KCNH2CDK1
SCHEMBL27369648 0.86 KCNH2 (0.76) CDK2KCNH2CDK1
SCHEMBL4515921 0.86 CDK2 (0.68) CDK2KCNH2CDK1
SCHEMBL30828143 0.83 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL27382932 0.83 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL4253052 0.82 CDK2 (0.63) CDK2KCNH2CDK1
SCHEMBL13522737 0.82 CDK2 (0.85) CDK2KCNH2CDK1
SCHEMBL4524256 0.82 CDK2 (1.00) CDK2KCNH2CDK1
SCHEMBL1447527 0.82 CDK2 (0.81) CDK2KCNH2CDK1

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
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO claimed