SCHEMBL14028397

SCHEMBL14028397

CCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 1.00
CHUK O15111 1/20 0.83

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
SCHEMBL4600994 0.93 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028393 0.92 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028387 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL30337765 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL1726425 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL4600940 0.90 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028394 0.90 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028392 0.90 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL30341860 0.90 IKBKB (0.98) IKBKBCHUK
SCHEMBL14028374 0.89 IKBKB (1.00) 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