SCHEMBL7140852

SCHEMBL7140852

O=C1Nc2ccc(I)cc2C1=Cc1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAF1 P04049 4/20 0.53
MAPT P10636 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
DYRK4 Q9NR20 1/20 0.53
SIRT3 Q9NTG7 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
SCHEMBL5469637 0.86 LRRK2 (0.70) MEN1KMT2ALRRK2TGM2RPS6KA3
SCHEMBL5469641 0.86 LRRK2 (0.70) MEN1KMT2ALRRK2TGM2RPS6KA3
SCHEMBL7138970 0.85 LRRK2 (0.54) MEN1KMT2ARAF1MAPTAPP
SCHEMBL5362858 0.84 RAF1 (0.63) MEN1KMT2ARAF1MAPTAPP
SCHEMBL5359400 0.84 PLK4 (0.70) MEN1KMT2ARAF1MAPTAPP
SCHEMBL7138293 0.84 NPC1 (0.70) MEN1KMT2ARAF1MAPTAPP
SCHEMBL7136250 0.83 RAF1 (0.56) MEN1KMT2ARAF1MAPTAPP
SCHEMBL5481832 0.83 NPC1 (0.68) PLK4PLK1NTRK1LRRK2FLT3
SCHEMBL5481833 0.83 NPC1 (0.68) PLK4PLK1NTRK1LRRK2FLT3
SCHEMBL7135211 0.81 MAPT (0.50) MEN1KMT2ARAF1MAPTAPP

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