SCHEMBL14028374

SCHEMBL14028374

CCOc1cccc(O)c1-c1cc(C2CCCNC2)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 0.67

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
SCHEMBL4599908 0.93 IKBKB (1.00) IKBKB
SCHEMBL14028376 0.92 IKBKB (1.00) IKBKB
SCHEMBL14028386 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028379 0.91 IKBKB (1.00) IKBKB
SCHEMBL14028375 0.91 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL4945309 0.91 IKBKB (0.98) IKBKBCHUK
SCHEMBL4600915 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028373 0.90 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028369 0.90 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028397 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 2 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-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed