SCHEMBL1447504

SCHEMBL1447504

COCc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)c(C)c3)n2)n1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.62
CDK1 P06493 5/20 0.55
KCNH2 Q12809 6/20 0.51
SYK P43405 2/20 0.51
CDK4 P11802 2/20 0.51
CDKL1 Q00532 1/20 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
SCHEMBL1447799 0.92 CDK2 (0.66) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1448127 0.90 CDK2 (0.71) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447668 0.90 CDK2 (0.56) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1446871 0.90 CDK2 (0.67) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448629 0.87 CDK2 (0.63) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448354 0.84 CDK2 (0.62) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448282 0.83 CDK2 (0.59) CDK2CDK1KCNH2SYKCDK4
SCHEMBL1447688 0.83 KCNH2 (0.73) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448611 0.83 CDK2 (0.64) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448435 0.81 CDK2 (0.57) CDK2CDK1KCNH2SYKCDK4

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