SCHEMBL7138293

SCHEMBL7138293

O=C1Nc2ccc(I)cc2C1=Cc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.70
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
FLT3 P36888 3/20 0.57
MAPT P10636 3/20 0.53
RAF1 P04049 3/20 0.53
APP P05067 2/20 0.53
MAP1LC3B Q9GZQ8 2/20 0.53
PLK4 O00444 2/20 0.53
PLK1 P53350 2/20 0.53
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.53
ARAF P10398 1/20 0.53
PIM1 P11309 1/20 0.53
BRAF P15056 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PIM3 Q86V86 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
MYOC Q99972 1/20 0.53

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
SCHEMBL7138923 0.90 NPC1 (0.56) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL7138605 0.87 RAF1 (0.58) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL14674173 0.86 FLT3 (0.76) NPC1MEN1KMT2AFLT3PLK4
SCHEMBL14674172 0.86 FLT3 (0.76) NPC1MEN1KMT2AFLT3PLK4
SCHEMBL29638261 0.86 FLT3 (0.76) NPC1MEN1KMT2AFLT3PLK4
SCHEMBL7136535 0.85 FLT3 (0.60) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL5358648 0.85 FLT3 (0.60) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL7130967 0.85 NTRK1 (0.54) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL17179637 0.84 MEN1 (0.76) NPC1MEN1KMT2AFLT3MAPT
SCHEMBL5359400 0.84 PLK4 (0.70) NPC1MEN1KMT2AFLT3MAPT

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