SCHEMBL6599115

SCHEMBL6599115

CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cncn3C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.58
▸ CDK4 P11802 6/20 0.58
▸ CDK1 P06493 3/20 0.53
▸ IKBKB O14920 4/20 0.51
▸ CCNT1 O60563 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CCNH P51946 1/20 0.46

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
SCHEMBL6593229 0.92 IKBKB (0.61) CDK2CDK4CDK1IKBKB
SCHEMBL6295111 0.88 CDK2 (0.68) CDK2CDK4CDK1IKBKB
SCHEMBL6595912 0.86 CDK2 (0.59) CDK2CDK4CDK1IKBKB
SCHEMBL6596998 0.85 CDK2 (0.54) CDK2CDK4CDK1IKBKBCCNT1
SCHEMBL6596936 0.84 CDK2 (0.81) CDK2CDK4CDK1IKBKBCCNT1
SCHEMBL6598403 0.84 ABL1 (0.51) CDK2CDK4CDK1IKBKBCCNT1
SCHEMBL27512174 0.83 CDK2 (0.49) CDK2CDK4CDK1
SCHEMBL6103355 0.83 CDK2 (0.69) CDK2CDK4CDK1IKBKBCCNT1
SCHEMBL6414318 0.82 CDK2 (0.69) CDK2CDK4CDK1IKBKB
SCHEMBL5105389 0.80 CDK2 (0.72) CDK2CDK4CDK1IKBKB

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 — — EP disclosed
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