SCHEMBL7979371

SCHEMBL7979371

CCOc1cc(C=C2C(=O)Nc3ccc(C(=O)CN(C)C)cc32)cc(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.61
AURKA O14965 1/20 0.59
LRRK2 Q5S007 3/20 0.52
MAP1LC3B Q9GZQ8 3/20 0.49
PLK4 O00444 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SIRT1 Q96EB6 2/20 0.49
PLK1 P53350 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
EGFR P00533 1/20 0.49
NTRK1 P04629 1/20 0.49
ARAF P10398 1/20 0.49
PIM1 P11309 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL7979369 1.00 RAF1 (0.61) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL5775161 0.90 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL5775159 0.90 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1394998 0.88 RAF1 (0.61) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1394997 0.88 RAF1 (0.61) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1395177 0.85 RAF1 (0.77) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1395178 0.85 RAF1 (0.77) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1395209 0.84 MAP1LC3B (0.69) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL1395212 0.84 MAP1LC3B (0.69) RAF1AURKALRRK2MAP1LC3BPLK4
SCHEMBL5086521 0.83 RAF1 (0.63) RAF1AURKALRRK2MAP1LC3BPLK4

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