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SCHEMBL4093045

SCHEMBL4093045

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(N(C)Cc5cccnc5N)CC4)cc3)n2)ccc1F.Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(N(C)Cc5cnn(C)c5C)CC4)cc3)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ IKBKG Q9Y6K9 1/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ PTK2 Q05397 13/20 0.39
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL4092769 0.96 IKBKB (0.37) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3295552 0.94 IKBKB (0.44) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3301788 0.94 CDK1 (0.44) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3298132 0.85 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3302818 0.84 IKBKB (0.43) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3324217 0.83 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3299104 0.83 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3299557 0.82 IKBKB (0.48) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3295498 0.81 IKBKB (0.41) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3301574 0.81 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2

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
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 — — WO disclosed