SCHEMBL5773003

SCHEMBL5773003

CC(C)CC(=O)c1ccc2c(c1)/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.60
ULK1 O75385 1/20 0.60
KIF15 Q9NS87 1/20 0.60
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54
PDGFRB P09619 2/20 0.54
PLK4 O00444 1/20 0.53
PLK1 P53350 1/20 0.53
LRRK2 Q5S007 4/20 0.52
AURKA O14965 1/20 0.52
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
NEK2 P51955 3/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
IGF1R P08069 1/20 0.47

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
SCHEMBL5773006 1.00 RAF1 (0.60) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5775133 0.88 RAF1 (0.63) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5775129 0.88 RAF1 (0.63) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5799355 0.87 RAF1 (0.75) RAF1KIF15EGFRERBB2PDGFRB
SCHEMBL5799357 0.87 RAF1 (0.75) RAF1KIF15EGFRERBB2PDGFRB
SCHEMBL5774244 0.87 RAF1 (0.78) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5774247 0.87 RAF1 (0.78) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5773597 0.84 RAF1 (0.67) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5773594 0.84 RAF1 (0.67) RAF1ULK1KIF15EGFRERBB2
SCHEMBL5774703 0.83 RAF1 (0.58) RAF1ULK1KIF15EGFRERBB2

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
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed