SCHEMBL14028534

SCHEMBL14028534

CCOC(=O)NCc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.65
CHUK O15111 1/20 0.52

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
SCHEMBL14492128 0.92 IKBKB (0.62) IKBKBCHUK
SCHEMBL14492129 0.92 IKBKB (0.62) IKBKBCHUK
SCHEMBL4948176 0.92 IKBKB (0.69) IKBKBCHUK
Hydrochloric Acid SCHEMBL4941319 0.91 IKBKB (0.69) IKBKBCHUK
SCHEMBL4601150 0.91 IKBKB (0.69) IKBKBCHUK
SCHEMBL14492127 0.91 IKBKB (0.64) IKBKBCHUK
Hydrochloric Acid SCHEMBL27601106 0.90 IKBKB (0.68) IKBKBCHUK
SCHEMBL4948020 0.90 IKBKB (0.69) IKBKBCHUK
SCHEMBL4946463 0.89 IKBKB (0.64) IKBKBCHUK
SCHEMBL14492131 0.89 IKBKB (0.66) 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 4 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
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