SCHEMBL6742364

SCHEMBL6742364

CC(C)(C)c1cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc(Br)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.79
PSEN1 P49768 2/20 0.79
PSEN2 P49810 2/20 0.79
APH1B Q8WW43 2/20 0.79
NCSTN Q92542 2/20 0.79
APH1A Q96BI3 2/20 0.79
PSENEN Q9NZ42 2/20 0.79
ERBB2 P04626 4/20 0.74
EGFR P00533 4/20 0.62
IGF1R P08069 1/20 0.61
PDGFRB P09619 1/20 0.61
RAF1 P04049 5/20 0.58
MAP1LC3B Q9GZQ8 3/20 0.58
NTRK1 P04629 1/20 0.58
ARAF P10398 1/20 0.58
PIM1 P11309 1/20 0.58
BRAF P15056 1/20 0.58
CSNK2A1 P68400 1/20 0.58
PIM3 Q86V86 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58

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
SCHEMBL6742363 1.00 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5468785 0.92 LRRK2 (0.72) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5468784 0.92 LRRK2 (0.72) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395354 0.89 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395352 0.89 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3800644 0.89 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5367163 0.87 RAF1 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5367313 0.85 LRRK2 (0.56) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6694978 0.83 ERBB2 (0.72) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395329 0.83 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed