SCHEMBL908571

SCHEMBL908571

COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OCC1CN2CCCC2CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 1.00
FLT1 P17948 18/20 1.00
EPHA2 P29317 17/20 1.00
KDR P35968 14/20 1.00
EPHB4 P54760 11/20 1.00

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
SCHEMBL908569 1.00 ERBB2 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL12898300 1.00 ERBB2 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL13589108 1.00 ERBB2 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL906990 0.94 ERBB2 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL906737 0.91 FLT1 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL13590226 0.91 FLT1 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL13589090 0.91 FLT1 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL906721 0.91 FLT1 (1.00) ERBB2FLT1EPHA2KDREPHB4
SCHEMBL13589102 0.91 FLT1 (1.00) ERBB2FLT1EPHA2KDREPHB4
Hydrochloric Acid SCHEMBL907860 0.90 FLT1 (0.99) ERBB2FLT1EPHA2KDREPHB4

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
EP-2277867-A2 Compounds, pharmaceutical compositions thereof and their use in treating cancer Symphony Evolution, Inc. (US) 2011-01-26 EP disclosed