SCHEMBL14046399

SCHEMBL14046399

Nc1nc(-c2c(O)cccc2OCCc2ccccc2)cc(C2CCCNC2)c1N

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 20/20 0.68

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
SCHEMBL14046523 0.96 IKBKB (0.67) IKBKB
SCHEMBL14028359 0.89 IKBKB (0.85) IKBKB
SCHEMBL14046403 0.89 IKBKB (0.80) IKBKB
SCHEMBL14046512 0.88 IKBKB (0.62) IKBKB
SCHEMBL14046473 0.87 IKBKB (0.80) IKBKB
SCHEMBL14046407 0.87 IKBKB (0.79) IKBKB
SCHEMBL14046398 0.86 IKBKB (0.73) IKBKB
SCHEMBL14046405 0.86 IKBKB (0.69) IKBKB
SCHEMBL14046522 0.86 IKBKB (0.70) IKBKB
SCHEMBL14046509 0.86 IKBKB (0.81) IKBKB

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
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