SCHEMBL4066353

SCHEMBL4066353

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CCCc2nc3snc(C)c3c(=O)n2Cc2cccc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.45
KIF23 Q02241 1/20 0.43
GNRHR P30968 1/20 0.37
MC4R P32245 1/20 0.35
EEF2K O00418 1/20 0.35
LPAR1 Q92633 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL5246236 0.92 KIF11 (0.52) KIF11KIF23GNRHRMC4R
SCHEMBL5740939 0.87 KIF11 (0.47) KIF11KIF23GNRHRMC4RSMN1; SMN2
SCHEMBL3957099 0.87 KIF11 (0.57) KIF11KIF23
SCHEMBL4059317 0.85 KIF11 (0.63) KIF11KIF23
SCHEMBL4066347 0.85 KIF11 (0.64) KIF11KIF23
SCHEMBL5247152 0.82 KIF11 (0.52) KIF11KIF23MC4R
SCHEMBL3961576 0.79 KIF11 (0.57) KIF11KIF23
SCHEMBL3905973 0.78 KIF11 (0.51) KIF11KIF23GNRHRMC4R
SCHEMBL3960561 0.78 KIF11 (0.57) KIF11KIF23
SCHEMBL3957584 0.78 KIF11 (0.57) KIF11KIF23TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed