SCHEMBL14028313

SCHEMBL14028313

N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2O)nc1N

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 0.79

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 SCHEMBL4947835 0.99 IKBKB (0.98) IKBKBCHUK
SCHEMBL14028242 0.95 IKBKB (1.00) IKBKBCHUK
SCHEMBL14491940 0.94 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL4944929 0.94 IKBKB (0.98) IKBKBCHUK
SCHEMBL14028373 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028234 0.88 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028374 0.88 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028370 0.88 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028386 0.88 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL4945830 0.88 IKBKB (0.98) 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 5 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