SCHEMBL7130967

SCHEMBL7130967

O=C1Nc2ccc(I)cc2C1=Cc1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.54
MAPT P10636 3/20 0.54
RAF1 P04049 3/20 0.54
APP P05067 2/20 0.54
MAP1LC3B Q9GZQ8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
EGFR P00533 1/20 0.54
ARAF P10398 1/20 0.54
PIM1 P11309 1/20 0.54
BRAF P15056 1/20 0.54
CSNK2A1 P68400 1/20 0.54
PIM3 Q86V86 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MYOC Q99972 1/20 0.54
DYRK4 Q9NR20 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
MAP3K20 Q9NYL2 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
SCHEMBL5363549 0.89 MAPT (0.54) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7138923 0.85 NPC1 (0.56) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7138293 0.85 NPC1 (0.70) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7138605 0.83 RAF1 (0.58) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7137647 0.81 MAPT (0.58) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL5363455 0.80 MAPT (0.58) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7139500 0.80 MAPT (0.63) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL5373326 0.79 MAPT (0.70) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7137009 0.79 RAF1 (0.66) NTRK1MAPTRAF1APPMAP1LC3B
SCHEMBL7136535 0.78 FLT3 (0.60) NTRK1MAPTRAF1APPMAP1LC3B

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed