SCHEMBL4552526

SCHEMBL4552526

NC(=O)c1ccc(-c2cnn[nH]2)cc1-c1cnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.38
MKNK2 Q9HBH9 5/20 0.38
BTK Q06187 8/20 0.36
CHUK O15111 3/20 0.36
IKBKB O14920 2/20 0.35
BCAT2 O15382 1/20 0.34
CDC7 O00311 3/20 0.34
IKBKE Q14164 1/20 0.34
PKMYT1 Q99640 1/20 0.34

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
SCHEMBL4811891 0.84 MKNK1 (0.52) MKNK1MKNK2BTKCDC7
SCHEMBL2185846 0.81 HSD17B1 (0.42) MKNK1MKNK2BTKCDC7
SCHEMBL2552512 0.80 BCAT2 (0.49) BTKBCAT2CDC7
SCHEMBL21857459 0.76 KDM4E (0.38)
SCHEMBL4367850 0.73 LRRK2 (0.34)
SCHEMBL4554108 0.73 KEAP1 (0.44) BTKBCAT2
SCHEMBL30268344 0.72 TSHR (0.40)
SCHEMBL21856932 0.72 TSHR (0.40)
SCHEMBL13411815 0.70 POLB (0.33) MKNK1MKNK2
SCHEMBL14414911 0.67 TP53 (0.44) MKNK1MKNK2

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
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed