SCHEMBL9966523

SCHEMBL9966523

C=C(/C=C\C(=C/N)c1csc(C)n1)NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
ALOX5AP P20292 6/20 0.34
MAP4K4 O95819 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP3A4 P08684 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL9966308 0.97 ALOX5AP (0.33) IDO1ALOX5APGSK3BDYRK1A
SCHEMBL9966277 0.90 ALOX5AP (0.38) ALOX5AP
SCHEMBL9966365 0.85 USP2 (0.33) IDO1MAP4K4
SCHEMBL9966514 0.84 MAP4K4 (0.40) MAP4K4
SCHEMBL9966413 0.81 RIPK1 (0.37) ALOX5APMAP4K4
SCHEMBL9966449 0.80 MAP4K4 (0.33) MAP4K4
SCHEMBL9966408 0.80 ALOX5AP (0.38) IDO1ALOX5APMAP4K4
SCHEMBL9966486 0.80 MAP4K4 (0.33) MAP4K4
SCHEMBL9966182 0.79 IDO1 (0.42) IDO1ALOX5APMAP4K4
SCHEMBL9966391 0.79 FFAR2 (0.33) GSK3BDYRK1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed