SCHEMBL1448088

SCHEMBL1448088

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)n2)n1CC1CCC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.66
▸ CDK1 P06493 7/20 0.65
▸ KCNH2 Q12809 3/20 0.47
▸ TBK1 Q9UHD2 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ IKBKG Q9Y6K9 1/20 0.44

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
SCHEMBL1447265 0.98 CDK2 (0.69) CDK2CDK1KCNH2TBK1SYK
SCHEMBL1448559 0.94 CDK2 (0.73) CDK2CDK1KCNH2SYK
SCHEMBL1447113 0.86 CDK2 (0.74) CDK2CDK1KCNH2
SCHEMBL1447567 0.85 CDK2 (0.72) CDK2CDK1KCNH2
SCHEMBL1447628 0.85 CDK2 (0.69) CDK2CDK1KCNH2SYKIKBKB
SCHEMBL1447174 0.85 CDK2 (0.61) CDK2CDK1KCNH2SYKIKBKB
SCHEMBL1448568 0.84 CDK2 (0.64) CDK2CDK1KCNH2IKBKBCHUK
SCHEMBL1447563 0.84 CDK2 (0.72) CDK2CDK1KCNH2TBK1SYK
SCHEMBL1447698 0.83 CDK2 (0.93) CDK2CDK1KCNH2
SCHEMBL1447876 0.82 CDK2 (0.73) CDK2CDK1KCNH2SYKIKBKB

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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