SCHEMBL2840546

SCHEMBL2840546

CN(C(=O)NCc1cccc(F)c1F)C(CCCCO)OC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
NOTUM Q6P988 1/20 0.35
MAPK1 P28482 3/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
ABL1 P00519 6/20 0.34
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
MAOB P27338 1/20 0.33
RPS6KA1 Q15418 1/20 0.32
CHRM4 P08173 1/20 0.31
P2RX7 Q99572 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MTOR P42345 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL210801 0.88 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL210802 0.88 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL210800 0.88 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211781 0.86 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211780 0.86 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211592 0.86 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2840551 0.84 CTSK (0.37) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2837038 0.84 CTSK (0.39) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL2840754 0.83 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A
SCHEMBL211523 0.83 CTSK (0.38) CTSKNOTUMMAPK1PKMRAB9A

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