SCHEMBL4719622

SCHEMBL4719622

CCc1[nH]c(C(C)(C)O)nc1-c1ccc(C[C@@H](CN2CCC2CC(N)=O)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.38
KIFC1 Q9BW19 1/20 0.35
S1PR1 P21453 8/20 0.34
TOP2A P11388 1/20 0.33
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
P2RX3 P56373 6/20 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
SCHEMBL3223147 0.83 CENPE (0.43) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL4722508 0.82 CENPE (0.45) CENPEKIFC1S1PR1TOP2AMAP4K4
SCHEMBL4717550 0.79 CENPE (0.45) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL4718279 0.72 CENPE (0.46) CENPEKIFC1S1PR1TOP2AMAP4K4
SCHEMBL3226744 0.72 CENPE (0.53) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL4720522 0.70 CENPE (0.43) CENPEKIFC1S1PR1TOP2AMAP4K4
SCHEMBL4835978 0.70 CENPE (0.44) CENPEKIFC1S1PR1TOP2A
SCHEMBL13161748 0.69 CENPE (0.48) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL2101580 0.69 CENPE (0.48) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL4717914 0.68 CENPE (0.42) CENPEKIFC1S1PR1TOP2AMAP4K4

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-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