SCHEMBL14028545

SCHEMBL14028545

CS(=O)(=O)N1Cc2c(C3CCCNC3)cc(-c3c(O)cccc3OCC3CC3)nc2NC1=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.71
CHUK O15111 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
Hydrochloric Acid SCHEMBL4939801 0.99 IKBKB (0.70) IKBKBCHUK
SCHEMBL4612334 0.88 IKBKB (0.71) IKBKBCHUK
SCHEMBL4612402 0.88 IKBKB (0.71) IKBKBCHUK
Hydrochloric Acid SCHEMBL4944356 0.87 IKBKB (0.70) IKBKBCHUK
SCHEMBL5253330 0.87 IKBKB (0.72) IKBKBCHUK
SCHEMBL4613748 0.86 IKBKB (0.68) IKBKBCHUK
SCHEMBL4792667 0.86 IKBKB (0.68) IKBKBCHUK
SCHEMBL4613875 0.85 IKBKB (0.68) IKBKBCHUK
Hydrochloric Acid SCHEMBL4946593 0.85 IKBKB (0.68) IKBKBCHUK
SCHEMBL14339666 0.85 IKBKB (0.67) IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed