SCHEMBL2841496

SCHEMBL2841496

CC(CCC(OC(=O)Nc1cc2ccccc2cn1)OP(=O)(O)O)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
PIN1 Q13526 2/20 0.34
NOTUM Q6P988 1/20 0.34
ABL1 P00519 1/20 0.33
MET P08581 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
NTRK1 P04629 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
RPS6KA1 Q15418 1/20 0.31
GCK P35557 1/20 0.31
GCG P01275 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CHRM4 P08173 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MTOR P42345 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 0.93 CTSK (0.36) CTSKPIN1NOTUMABL1MET
SCHEMBL2837038 0.88 CTSK (0.39) CTSKNOTUMABL1METWNT1
SCHEMBL2844786 0.84 CTSK (0.35) CTSKPIN1NOTUMABL1MET
SCHEMBL2840546 0.80 CTSK (0.39) CTSKNOTUMABL1METNTRK1
SCHEMBL211523 0.80 CTSK (0.38) CTSKNOTUMABL1METNTRK1
SCHEMBL2840754 0.80 CTSK (0.38) CTSKNOTUMABL1METNTRK1
SCHEMBL2840927 0.78 PIN1 (0.40) CTSKPIN1NOTUMMETWNT1
SCHEMBL212113 0.78 PIN1 (0.40) CTSKPIN1NOTUMMETWNT1
SCHEMBL213747 0.78 PIN1 (0.40) CTSKPIN1NOTUMMETWNT1
SCHEMBL209908 0.78 PIN1 (0.40) CTSKPIN1NOTUMMETWNT1

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