SCHEMBL6689331

SCHEMBL6689331

CC(C)(C)c1cc(/C=C2\C(=O)Nc3ccc(C#N)cc32)cc(C(C)(C)C)c1O.COC(=O)c1cccc2c1NC(=O)/C2=C\c1cc(I)c(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.51
EGFR P00533 4/20 0.51
IGF1R P08069 1/20 0.51
RAF1 P04049 4/20 0.43
AURKA O14965 1/20 0.43
CTRC Q99895 1/20 0.42
PDPK1 O15530 1/20 0.40
DHFR P00374 1/20 0.39
GSK3B P49841 3/20 0.38
LRRK2 Q5S007 1/20 0.37
MAP1LC3B Q9GZQ8 2/20 0.37
NTRK1 P04629 1/20 0.37
ARAF P10398 1/20 0.37
PIM1 P11309 1/20 0.37
BRAF P15056 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PIM3 Q86V86 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MYOC Q99972 1/20 0.37

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
SCHEMBL6689335 1.00 ERBB2 (0.51) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL6695402 0.82 ERBB2 (0.67) ERBB2EGFRIGF1RRAF1CTRC
SCHEMBL6695400 0.82 ERBB2 (0.67) ERBB2EGFRIGF1RRAF1CTRC
SCHEMBL6690291 0.82 RAF1 (0.47) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL6690293 0.82 RAF1 (0.47) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL6692701 0.72 LRRK2 (0.49) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL6692699 0.72 LRRK2 (0.49) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL6687680 0.72 RAF1 (0.62) EGFRRAF1AURKADHFRLRRK2
SCHEMBL6687681 0.72 RAF1 (0.62) EGFRRAF1AURKADHFRLRRK2
SCHEMBL6692724 0.71 RAF1 (0.46) ERBB2EGFRIGF1RRAF1PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO claimed
WO-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed