SCHEMBL13679458

SCHEMBL13679458

Cn1ccc2ncnc(Nc3ccc(Oc4cccc5oc(N)cc45)c(Cl)c3)c21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63
ERBB2 P04626 20/20 0.63
ERBB4 Q15303 7/20 0.63
ERBB3 P21860 6/20 0.63
LCK P06239 1/20 0.50
LYN P07948 1/20 0.50
MET P08581 1/20 0.50
SRC P12931 1/20 0.50
CSK P41240 1/20 0.50
MAP2K1 Q02750 1/20 0.50
TEK Q02763 1/20 0.50

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
SCHEMBL13679445 0.89 EGFR (0.49) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3484061 0.88 EGFR (0.59) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3485161 0.88 EGFR (0.61) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3484964 0.82 EGFR (0.65) EGFRERBB2ERBB4ERBB3
SCHEMBL3485209 0.81 EGFR (0.78) EGFRERBB2ERBB4ERBB3
SCHEMBL3484335 0.80 EGFR (0.80) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3484807 0.80 EGFR (0.79) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3402468 0.80 EGFR (0.79) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3483744 0.80 EGFR (0.79) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3484874 0.78 EGFR (0.49) EGFRERBB2ERBB4ERBB3LCK

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-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP disclosed