SCHEMBL20008373

SCHEMBL20008373

CNc1cnc(C)c(-c2cncc(N3CCCC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
FLT3 P36888 1/20 0.37
ITK Q08881 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
DYRK1A Q13627 3/20 0.36
GSK3B P49841 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
WNT1 P04628 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL20008786 0.99 RAF1 (0.46) RAF1BRAFKITSRCFLT3
SCHEMBL20008475 0.80 RAF1 (0.39) RAF1BRAF
SCHEMBL20008151 0.77 RAF1 (0.48) RAF1BRAF
SCHEMBL19382084 0.77 KIT (0.44) KITSRCFLT3ITKGSK3B
SCHEMBL20008326 0.76 RAF1 (0.39) RAF1BRAF
SCHEMBL20008216 0.76 RAF1 (0.47) RAF1BRAF
SCHEMBL20008259 0.75 RAF1 (0.38) RAF1BRAF
SCHEMBL20008890 0.74 RAF1 (0.49) RAF1BRAF
SCHEMBL20008157 0.74 RAF1 (0.49) RAF1BRAF
SCHEMBL20008289 0.73 RAF1 (0.37) RAF1BRAF

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed