SCHEMBL1447476

SCHEMBL1447476

COCc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)n2)n1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.72
CDK1 P06493 7/20 0.72
KCNH2 Q12809 3/20 0.51
SYK P43405 2/20 0.48
CDK4 P11802 1/20 0.46

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
SCHEMBL1449343 0.97 CDK2 (0.77) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447207 0.92 CDK2 (0.68) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1448127 0.88 CDK2 (0.71) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447698 0.88 CDK2 (0.93) CDK2CDK1KCNH2CDK4
SCHEMBL1447799 0.87 CDK2 (0.66) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447679 0.85 CDK2 (0.73) CDK2CDK1KCNH2SYK
SCHEMBL1448282 0.84 CDK2 (0.59) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1448230 0.84 CDK2 (1.00) CDK2CDK1KCNH2CDK4
SCHEMBL1448435 0.82 CDK2 (0.57) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447640 0.81 CDK2 (0.78) CDK2CDK1KCNH2SYK

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