SCHEMBL1447688

SCHEMBL1447688

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)c(F)c3)n2)n1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.73
▸ CDK4 P11802 2/20 0.72
▸ CDKL1 Q00532 1/20 0.72
▸ CDK2 P24941 15/20 0.71
▸ CDK1 P06493 5/20 0.67

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
SCHEMBL1447436 0.97 KCNH2 (0.69) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1446871 0.93 CDK2 (0.67) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1447609 0.91 CDK2 (0.75) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1448611 0.90 CDK2 (0.64) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1448629 0.89 CDK2 (0.63) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1448354 0.89 CDK2 (0.62) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1447419 0.88 CDK2 (0.61) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1447917 0.88 CDK2 (0.71) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL29431926 0.87 CDK2 (0.61) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1448376 0.87 CDK2 (0.61) KCNH2CDK4CDKL1CDK2CDK1

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
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