SCHEMBL2844786

SCHEMBL2844786

COP(=O)(OC)OCC(CCC(C)N(C)C(=O)NCc1cccc(F)c1F)OC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
PIN1 Q13526 2/20 0.33
NOTUM Q6P988 1/20 0.32
MET P08581 1/20 0.32
ABL1 P00519 1/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NTRK1 P04629 1/20 0.31
MAOB P27338 1/20 0.30
CHRM4 P08173 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
RPS6KA1 Q15418 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
SCHEMBL2841805 0.89 CTSK (0.36) CTSKPIN1NOTUMMETABL1
SCHEMBL2837038 0.85 CTSK (0.39) CTSKNOTUMMETABL1MAPK1
SCHEMBL2841496 0.84 CTSK (0.36) CTSKPIN1NOTUMMETABL1
SCHEMBL213733 0.83 PIN1 (0.33) CTSKPIN1NOTUMMETMAPK1
SCHEMBL212204 0.83 PIN1 (0.33) CTSKPIN1NOTUMMETMAPK1
SCHEMBL212203 0.83 PIN1 (0.33) CTSKPIN1NOTUMMETMAPK1
SCHEMBL212202 0.83 PIN1 (0.33) CTSKPIN1NOTUMMETMAPK1
SCHEMBL213734 0.83 PIN1 (0.33) CTSKPIN1NOTUMMETMAPK1
SCHEMBL212721 0.82 CTSK (0.35) CTSKPIN1NOTUMMETMAPK1
SCHEMBL212719 0.82 CTSK (0.35) CTSKPIN1NOTUMMETMAPK1

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed