SCHEMBL4156172

SCHEMBL4156172

CN1CCN(CCC(=O)NS(=O)(=O)c2ccc(Nc3nc(N)n(C(=O)c4c(F)cccc4F)n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 10/20 1.00
▸ CDK2 P24941 8/20 1.00
▸ JAK1 P23458 10/20 0.62
▸ TYK2 P29597 10/20 0.62
▸ JAK3 P52333 7/20 0.62
▸ JAK2 O60674 6/20 0.62
▸ CCNB2 O95067 3/20 0.62
▸ CCNB1 P14635 3/20 0.62
▸ CCNB3 Q8WWL7 3/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ STK25 O00506 1/20 0.62
▸ RIOK3 O14730 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ DCLK1 O15075 1/20 0.62
▸ PDPK1 O15530 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ NUAK1 O60285 1/20 0.62
▸ ROCK2 O75116 1/20 0.62
▸ RPS6KA4 O75676 1/20 0.62

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
SCHEMBL12755100 0.95 CDK1 (0.91) CDK1CDK2JAK1TYK2JAK3
SCHEMBL12893413 0.88 CDK1 (0.83) CDK1CDK2JAK1TYK2JAK3
SCHEMBL12755105 0.87 CDK1 (0.90) CDK1CDK2JAK1TYK2JAK3
SCHEMBL4145390 0.86 CDK1 (1.00) CDK1CDK2JAK1TYK2JAK3
SCHEMBL4163080 0.84 CDK1 (0.90) CDK1CDK2JAK1TYK2JAK3
SCHEMBL4157634 0.84 CDK1 (0.80) CDK1CDK2JAK1TYK2JAK3
SCHEMBL4159410 0.83 CDK1 (1.00) CDK1CDK2JAK1TYK2JAK3
SCHEMBL12755099 0.83 CDK1 (0.76) CDK1CDK2JAK1TYK2JAK3
SCHEMBL12755104 0.82 CDK1 (0.74) CDK1CDK2JAK1TYK2JAK3
SCHEMBL12755112 0.81 CDK1 (0.75) CDK1CDK2JAK1TYK2JAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888380-B2 1,2,4-Triazolylaminoaryl (heteroaryl) sulfonamide derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-02-15 — — US disclosed
EP-1797049-A4 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-17 — — EP disclosed
EP-1797049-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 — — EP disclosed
WO-2006042215-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-20 — — WO disclosed
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