SCHEMBL7136165

SCHEMBL7136165

COc1ccc(C=C2C(=O)Nc3ccc(I)cc32)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
APP P05067 2/20 0.60
EGFR P00533 2/20 0.55
ERBB2 P04626 2/20 0.55
LRRK2 Q5S007 2/20 0.55
RAF1 P04049 3/20 0.54
MAP1LC3B Q9GZQ8 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PLK4 O00444 2/20 0.54
NTRK1 P04629 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

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
SCHEMBL5369976 0.90 MAPT (0.62) MAPTAPPEGFRERBB2RAF1
SCHEMBL7132945 0.87 MAPT (0.59) MAPTAPPEGFRERBB2LRRK2
SCHEMBL7136822 0.87 MAPT (0.59) MAPTAPPEGFRERBB2RAF1
SCHEMBL5358413 0.83 RET (0.73) MAPTAPPEGFRLRRK2RAF1
SCHEMBL7138948 0.81 ERBB2 (0.53) MAPTEGFRERBB2LRRK2KMT2A
SCHEMBL7132904 0.81 MAPT (0.74) MAPTAPPEGFRLRRK2RAF1
SCHEMBL7138911 0.80 NTRK1 (0.54) MAPTEGFRERBB2LRRK2KMT2A
SCHEMBL5368858 0.80 MAPT (0.62) MAPTAPPEGFRLRRK2RAF1
SCHEMBL7131328 0.80 MAPT (0.58) MAPTAPPEGFRLRRK2RAF1
SCHEMBL5358927 0.79 MAPT (0.58) MAPTAPPEGFRERBB2LRRK2

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