SCHEMBL7969347

SCHEMBL7969347

CN(C)CCNC(=O)c1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.66
AURKA O14965 1/20 0.66
LRRK2 Q5S007 3/20 0.55
MAP1LC3B Q9GZQ8 3/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
EGFR P00533 1/20 0.55
NTRK1 P04629 1/20 0.55
ARAF P10398 1/20 0.55
PIM1 P11309 1/20 0.55
BRAF P15056 1/20 0.55
CSNK2A1 P68400 1/20 0.55
PIM3 Q86V86 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
MYOC Q99972 1/20 0.55

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
SCHEMBL5778059 1.00 RAF1 (0.66) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5775436 0.88 RAF1 (0.70) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5775441 0.88 RAF1 (0.70) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5775161 0.83 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5775159 0.83 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5777569 0.82 RAF1 (0.65) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5777568 0.82 RAF1 (0.65) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5777681 0.82 RAF1 (0.70) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL5777676 0.82 RAF1 (0.70) RAF1AURKALRRK2MAP1LC3BPSEN1
SCHEMBL3757435 0.80 RAF1 (0.77) RAF1AURKALRRK2MAP1LC3BPSEN1

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-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