SCHEMBL2840754

SCHEMBL2840754

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
GCG P01275 1/20 0.35
ABL1 P00519 1/20 0.34
NOTUM Q6P988 1/20 0.33
FOLH1 Q04609 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GCK P35557 1/20 0.32
P2RX7 Q99572 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
NTRK1 P04629 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
MAP4K1 Q92918 1/20 0.32
MET P08581 1/20 0.32
MAOB P27338 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
SCHEMBL211523 1.00 CTSK (0.38) CTSKGCGABL1NOTUMFOLH1
SCHEMBL212050 0.93 ABL1 (0.38) CTSKABL1MAPK1RAB9AALDH1A1
SCHEMBL209967 0.92 CTSK (0.37) CTSKGCGABL1NOTUMFOLH1
SCHEMBL210584 0.86 ABL1 (0.37) CTSKABL1MAPK1P2RX7TDP1
SCHEMBL2843927 0.86 ABL1 (0.37) CTSKABL1MAPK1P2RX7TDP1
SCHEMBL212478 0.85 CTSK (0.36) CTSKGCGABL1NOTUMFOLH1
SCHEMBL212350 0.85 MAOB (0.35) CTSKFOLH1RAB9AKDM4EP2RX7
SCHEMBL2840546 0.83 CTSK (0.39) CTSKABL1NOTUMPKMMAPK1
SCHEMBL2837038 0.83 CTSK (0.39) CTSKGCGABL1NOTUMPKM
SCHEMBL214679 0.82 CTSK (0.37) CTSKGCGABL1NOTUMFOLH1

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