SCHEMBL1447668

SCHEMBL1447668

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.56
▸ SYK P43405 4/20 0.49
▸ CDK1 P06493 4/20 0.46
▸ KCNH2 Q12809 4/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CDKL1 Q00532 1/20 0.45
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 1/20 0.43

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
SCHEMBL1448435 0.92 CDK2 (0.57) CDK2SYKCDK1KCNH2CDK4
SCHEMBL1447504 0.90 CDK2 (0.62) CDK2SYKCDK1KCNH2CDK4
SCHEMBL1447419 0.89 CDK2 (0.61) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448127 0.85 CDK2 (0.71) CDK2SYKCDK1KCNH2CDK4
SCHEMBL1447799 0.81 CDK2 (0.66) CDK2SYKCDK1KCNH2CDK4
SCHEMBL1448282 0.81 CDK2 (0.59) CDK2SYKCDK1KCNH2CDK4
SCHEMBL1448307 0.80 CDK2 (0.72) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1446871 0.79 CDK2 (0.67) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448354 0.79 CDK2 (0.62) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448611 0.77 CDK2 (0.64) CDK2CDK1KCNH2CDK4CDKL1

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
Send feedback