SCHEMBL4531034

SCHEMBL4531034

CC1(c2ccc(C(N)=O)c(Nc3ccccc3)c2)C=NC2=C1C(=O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
SIRT2 Q8IXJ6 6/20 0.37
SIRT1 Q96EB6 3/20 0.36
JAK3 P52333 2/20 0.36
BRD4 O60885 1/20 0.34
BUB1 O43683 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL4535495 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1JAK2JAK1TYK2
SCHEMBL4536660 0.79 KDM4E (0.44) JAK2JAK3KDM4EALDH1A1
SCHEMBL4534406 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1BRD4
SCHEMBL4526380 0.73 HSP90AA1 (0.55) HSP90AA1HSP90AB1JAK2JAK1TYK2
SCHEMBL4523147 0.68 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL4524813 0.67 CDC7 (0.45) HSP90AA1HSP90AB1BUB1
SCHEMBL27952336 0.65 SIRT2 (0.54) HSP90AA1HSP90AB1SIRT2SIRT1BRD4
SCHEMBL1220887 0.65 HSP90AA1 (0.73) HSP90AA1HSP90AB1BRD4KDM4EALDH1A1
SCHEMBL1220822 0.64 HSP90AA1 (0.74) HSP90AA1HSP90AB1SIRT2SIRT1BRD4
SCHEMBL1220662 0.64 HSP90AA1 (0.56) HSP90AA1HSP90AB1

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
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed