SCHEMBL19507771

SCHEMBL19507771

COc1ccc(-c2ccco2)cc1Nc1ncnc2[nH]nc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.40
EGFR P00533 4/20 0.38
FYN P06241 1/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 2/20 0.36
LCLAT1 Q6UWP7 1/20 0.35
TRIM24 O15164 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 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
SCHEMBL19475696 0.89 FYN (0.40) MKNK1EGFRFYNCLK4MEN1
SCHEMBL19507798 0.84 MKNK1 (0.43) MKNK1EGFRMEN1KMT2ARAF1
SCHEMBL19507751 0.84 MKNK1 (0.38) MKNK1EGFRFYNCLK4MEN1
SCHEMBL19507750 0.82 MAPT (0.41) EGFRFYNMEN1MAPK1KMT2A
SCHEMBL19507678 0.80 CLK4 (0.41) MKNK1FYNCLK4MEN1MAPK1
SCHEMBL19507728 0.78 LRRK2 (0.37) MKNK1FYNMAPK1ADORA2A
SCHEMBL19507752 0.77 FYN (0.35) MKNK1FYNMEN1TP53NFKB1
SCHEMBL19507682 0.77 MAPT (0.41) EGFRMEN1TP53MAPK1KMT2A
SCHEMBL29168733 0.75 EGFR (0.54) EGFRMAPK1
SCHEMBL30820451 0.75 EGFR (0.54) EGFRMAPK1

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-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 WO disclosed