SCHEMBL14028342

SCHEMBL14028342

O=C(c1cc2c(C3CCCNC3)cc(-c3c(O)cccc3OCC3CC3)nc2[nH]c1=O)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.56
CHUK O15111 1/20 0.45

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
SCHEMBL14028339 0.96 IKBKB (0.56) IKBKBCHUK
SCHEMBL14028341 0.94 IKBKB (0.56) IKBKBCHUK
SCHEMBL14028581 0.90 IKBKB (0.60) IKBKBCHUK
Hydrochloric Acid SCHEMBL4945782 0.89 IKBKB (0.59) IKBKBCHUK
SCHEMBL4946401 0.89 IKBKB (0.61) IKBKBCHUK
SCHEMBL14028336 0.88 IKBKB (0.58) IKBKBCHUK
SCHEMBL14028337 0.87 IKBKB (0.57) IKBKBCHUK
SCHEMBL14492188 0.87 IKBKB (0.57) IKBKBCHUK
SCHEMBL4945974 0.87 IKBKB (0.57) IKBKBCHUK
SCHEMBL14492190 0.86 IKBKB (0.56) 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