SCHEMBL4722508

SCHEMBL4722508

CCc1[nH]c(C(C)(C)O)nc1-c1ccc(C[C@@H](CC(=O)NC)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.45
KIFC1 Q9BW19 1/20 0.39
P2RX3 P56373 3/20 0.35
TOP2A P11388 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
S1PR1 P21453 3/20 0.34
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
ITGB1 P05556 2/20 0.33
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
ITGA4 P13612 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
MME P08473 2/20 0.33
PDK1 Q15118 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
SCHEMBL4718279 0.90 CENPE (0.46) CENPEKIFC1P2RX3TOP2ATAS1R3
SCHEMBL4717550 0.83 CENPE (0.45) CENPEKIFC1P2RX3S1PR1MAP4K4
SCHEMBL4719622 0.82 CENPE (0.38) CENPEKIFC1P2RX3TOP2AS1PR1
SCHEMBL4718275 0.81 CENPE (0.47) CENPEKIFC1P2RX3TOP2ATAS1R3
SCHEMBL3216793 0.80 CENPE (0.49) CENPEKIFC1P2RX3TAS1R3TAS1R1
SCHEMBL3231102 0.79 CENPE (0.51) CENPEKIFC1P2RX3TAS1R3TAS1R1
SCHEMBL2104831 0.77 CENPE (0.51) CENPEKIFC1P2RX3TAS1R3TAS1R1
SCHEMBL3224905 0.76 CENPE (0.51) CENPEKIFC1P2RX3TAS1R3TAS1R1
SCHEMBL4720522 0.75 CENPE (0.43) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL3228307 0.75 CENPE (0.52) CENPEKIFC1P2RX3TAS1R3TAS1R1

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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed