SCHEMBL4781069

SCHEMBL4781069

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)C(C)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.67
EGFR P00533 18/20 0.64
ERBB2 P04626 2/20 0.60
ERBB4 Q15303 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
SCHEMBL169433 0.93 EGFR (0.70) FBP1EGFRERBB2ERBB4
SCHEMBL29623600 0.93 EGFR (0.70) FBP1EGFRERBB2ERBB4
SCHEMBL208516 0.93 EGFR (0.70) FBP1EGFRERBB2ERBB4
SCHEMBL1919780 0.89 ERBB2 (0.65) FBP1EGFRERBB2ERBB4
SCHEMBL2781493 0.88 EGFR (0.63) FBP1EGFRERBB2ERBB4
SCHEMBL375151 0.88 EGFR (0.63) FBP1EGFRERBB2ERBB4
SCHEMBL14489895 0.87 ERBB2 (0.66) FBP1EGFRERBB2ERBB4
SCHEMBL14489888 0.87 ERBB2 (0.66) FBP1EGFRERBB2ERBB4
SCHEMBL12536517 0.87 EGFR (0.68) FBP1EGFRERBB2ERBB4
SCHEMBL14489893 0.87 EGFR (0.70) FBP1EGFRERBB2ERBB4

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-1992377-A1 Dispensing device Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-11-19 EP disclosed