SCHEMBL4774049

SCHEMBL4774049

CC(O)Cc1nc(-c2ccc(CC(O)CCNC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2F)cn1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.37
CCR3 P51677 1/20 0.36
KIFC1 Q9BW19 1/20 0.35
P2RX3 P56373 7/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
S1PR1 P21453 1/20 0.33
DHODH Q02127 1/20 0.33
NAMPT P43490 1/20 0.33
WDR5 P61964 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL4774663 0.79 CENPE (0.44) CENPECCR3KIFC1MAP4K4MINK1
SCHEMBL3461137 0.75 CENPE (0.44) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL13161592 0.75 CENPE (0.44) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL3461182 0.74 DHODH (0.46) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL13161874 0.74 DHODH (0.46) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL13625049 0.73 CENPE (0.41) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL4767596 0.72 CENPE (0.44) CENPECCR3KIFC1P2RX3MAP4K4
SCHEMBL13707933 0.71 CENPE (0.59) CENPEKIFC1
SCHEMBL3461844 0.70 CENPE (0.43) CENPEKIFC1P2RX3KCNQ3KCNQ2
SCHEMBL3224472 0.70 CENPE (0.43) CENPEKIFC1P2RX3KCNQ3KCNQ2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed