SCHEMBL19872444

SCHEMBL19872444

CC1=Nc2ncc(C#Cc3cccc(NS(=O)(=O)c4cccnc4)c3)cc2C1c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ BRAF P15056 7/20 0.41
▸ MAP2K7 O14733 2/20 0.41
▸ MAP2K4 P45985 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.37
▸ ALPL P05186 1/20 0.36

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
SCHEMBL21046877 0.73 MAP2K4 (0.58) KMT2AMEN1BRAFMAP2K7MAP2K4
SCHEMBL18424329 0.68 KMT2A (0.69) KMT2AMEN1MAP2K7MAP2K4GAA
SCHEMBL12474917 0.66 KMT2A (0.65) KMT2ACYP17A1MEN1GAASLC40A1
SCHEMBL4879656 0.66 L3MBTL1 (0.47) KMT2AMEN1BRAFGAA
SCHEMBL4875782 0.65 CA12 (0.48) KMT2ABRAFPIK3CA
SCHEMBL19872439 0.64 MAP2K7 (0.42) KMT2ACYP17A1MEN1BRAFMAP2K7
SCHEMBL21046972 0.64 MAP2K4 (0.65) BRAFMAP2K7MAP2K4
SCHEMBL23565665 0.64 KMT2A (0.71) KMT2AMEN1MAP2K7MAP2K4GAA
SCHEMBL4879480 0.64 HTR6 (0.56) KMT2AMEN1GAA
SCHEMBL9954104 0.63 GAA (0.81) KMT2ACYP17A1MEN1GAASLC40A1

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
WO-2018030466-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2018-02-15 — — WO disclosed
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