SCHEMBL7140867

SCHEMBL7140867

O=C1Nc2ccc(I)cc2C1=Cc1cc(O)c(O)c(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.76
MAP1LC3B Q9GZQ8 3/20 0.76
MAPT P10636 3/20 0.76
PLK4 O00444 2/20 0.76
EGFR P00533 2/20 0.76
NTRK1 P04629 1/20 0.76
ARAF P10398 1/20 0.76
PIM1 P11309 1/20 0.76
BRAF P15056 1/20 0.76
CSNK2A1 P68400 1/20 0.76
PIM3 Q86V86 1/20 0.76
SIRT2 Q8IXJ6 1/20 0.76
SIRT1 Q96EB6 1/20 0.76
MYOC Q99972 1/20 0.76
DYRK4 Q9NR20 1/20 0.76
SIRT3 Q9NTG7 1/20 0.76
SIRT5 Q9NXA8 1/20 0.76
MAP3K20 Q9NYL2 1/20 0.76
PIM2 Q9P1W9 1/20 0.76
RIPK3 Q9Y572 1/20 0.76

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
SCHEMBL6690796 0.89 RAF1 (0.76) RAF1MAP1LC3BMAPTPLK4EGFR
SCHEMBL7134225 0.87 MAPT (0.74) RAF1MAP1LC3BMAPTPLK4EGFR
Gw305074X SCHEMBL149921 0.86 RAF1 (1.00) RAF1MAP1LC3BMAPTPLK4EGFR
Gw305074X SCHEMBL29392050 0.86 RAF1 (1.00) RAF1MAP1LC3BMAPTPLK4EGFR
Gw305074X SCHEMBL149922 0.86 RAF1 (1.00) RAF1MAP1LC3BMAPTPLK4EGFR
Gw305074X SCHEMBL12199472 0.86 RAF1 (1.00) RAF1MAP1LC3BMAPTPLK4EGFR
Gw305074X SCHEMBL29389948 0.86 RAF1 (1.00) RAF1MAP1LC3BMAPTPLK4EGFR
SCHEMBL5370064 0.84 PSEN1 (0.71) RAF1MAP1LC3BMAPTPLK4EGFR
SCHEMBL7137009 0.82 RAF1 (0.66) RAF1MAP1LC3BMAPTPLK4EGFR
SCHEMBL8206335 0.82 RAF1 (0.77) RAF1MAP1LC3BMAPTPLK4EGFR

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