SCHEMBL14028265

SCHEMBL14028265

CC(=O)NCc1c(C2CCCNC2)cc(-c2ccccc2O)nc1N

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.63
CHUK O15111 1/20 0.62

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
SCHEMBL14492125 0.91 IKBKB (0.60) IKBKBCHUK
SCHEMBL14492123 0.90 IKBKB (0.61) IKBKBCHUK
SCHEMBL14028499 0.85 IKBKB (0.70) IKBKBCHUK
Hydrochloric Acid SCHEMBL4945023 0.84 IKBKB (0.68) IKBKBCHUK
SCHEMBL14028508 0.84 IKBKB (0.65) IKBKBCHUK
Hydrochloric Acid SCHEMBL7022288 0.84 IKBKB (0.65) IKBKBCHUK
SCHEMBL14028514 0.84 IKBKB (0.67) IKBKBCHUK
SCHEMBL14339759 0.83 IKBKB (0.50) IKBKBCHUK
Hydrochloric Acid SCHEMBL4944779 0.83 IKBKB (0.64) IKBKBCHUK
Hydrochloric Acid SCHEMBL4944448 0.83 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