SCHEMBL1448568

SCHEMBL1448568

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)n2)n1CC1CCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.64
▸ CDK1 P06493 8/20 0.63
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ IKBKG Q9Y6K9 1/20 0.51
▸ KCNH2 Q12809 3/20 0.46
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL1448906 0.87 CDK2 (0.65) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL1448567 0.87 CDK2 (0.65) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL1447265 0.86 CDK2 (0.69) CDK2CDK1KCNH2
SCHEMBL1447839 0.86 CDK2 (0.67) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL1448088 0.84 CDK2 (0.66) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL1447182 0.84 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1447236 0.84 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1447616 0.84 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1448064 0.83 CDK2 (0.61) CDK2CDK1IKBKBCHUKIKBKG
SCHEMBL1447670 0.83 CDK2 (0.61) CDK2CDK1IKBKBCHUKIKBKG

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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