SCHEMBL9966308

SCHEMBL9966308

C=C(/C=C\C(=C/N)c1csc(C)n1)NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.33
IDO1 P14902 2/20 0.33
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ABL1 P00519 1/20 0.30
ELOVL1 Q9BW60 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL9966523 0.97 IDO1 (0.36) ALOX5APIDO1GSK3BDYRK1A
SCHEMBL9966277 0.88 ALOX5AP (0.38) ALOX5AP
SCHEMBL9966365 0.86 USP2 (0.33) IDO1
SCHEMBL9966514 0.85 MAP4K4 (0.40)
SCHEMBL9966413 0.82 RIPK1 (0.37) ALOX5APABL1
SCHEMBL9966449 0.82 MAP4K4 (0.33)
SCHEMBL9966486 0.81 MAP4K4 (0.33)
SCHEMBL9966391 0.80 FFAR2 (0.33) GSK3BDYRK1ALMNATLR7
SCHEMBL9966380 0.80 PIK3CA (0.33)
SCHEMBL9966408 0.78 ALOX5AP (0.38) ALOX5APIDO1LMNA

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