SCHEMBL4346597

SCHEMBL4346597

O=C(CC(O)CO)NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1I

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 20/20 0.57
MAP2K1 Q02750 20/20 0.57
BRAF P15056 1/20 0.54
MAPK1 P28482 1/20 0.54
MAP2K5 Q13163 1/20 0.54

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
SCHEMBL188543 0.85 MAP2K2 (0.67) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL30220932 0.85 MAP2K2 (0.67) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL4584404 0.84 MAP2K2 (0.57) MAP2K2MAP2K1BRAF
SCHEMBL3262393 0.80 MAP2K2 (0.72) MAP2K2MAP2K1BRAF
SCHEMBL29413608 0.76 MAP2K2 (0.66) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL1488518 0.76 MAP2K2 (0.66) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL1488201 0.75 MAP2K2 (0.71) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL29413428 0.75 MAP2K2 (0.71) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL29413639 0.75 MAP2K2 (0.80) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL189265 0.75 MAP2K2 (0.80) MAP2K2MAP2K1BRAFMAPK1MAP2K5

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-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed